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(1R)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
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ChemBase ID:
180079
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Molecular Formular:
C11H12O2
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Molecular Mass:
176.21178
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Monoisotopic Mass:
176.08372962
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SMILES and InChIs
SMILES:
[C@H]1(CCCc2ccccc12)C(=O)O
Canonical SMILES:
OC(=O)[C@@H]1CCCc2c1cccc2
InChI:
InChI=1S/C11H12O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2,(H,12,13)/t10-/m1/s1
InChIKey:
VDLWTJCSPSUGOA-SNVBAGLBSA-N
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Cite this record
CBID:180079 http://www.chembase.cn/molecule-180079.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(1R)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
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IUPAC Traditional name
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(1R)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
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Synonyms
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(R)-1,2,3,4-Tetrahydro-naphthoic acid
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(R)-1,2,3,4-Tetrahydro-1-naphthoic acid
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(R)-1,2,3,4-四氢-1-萘酸
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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4.5662656
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H Acceptors
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2
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H Donor
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1
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LogD (pH = 5.5)
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1.6677581
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LogD (pH = 7.4)
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-0.106403716
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Log P
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2.6482446
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Molar Refractivity
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49.7801 cm3
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Polarizability
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19.234285 Å3
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Polar Surface Area
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37.3 Å2
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Rotatable Bonds
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1
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent