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859181-99-0 molecular structure
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1-[(4-methoxyphenyl)amino]cyclopentane-1-carboxylic acid

ChemBase ID: 310460
Molecular Formular: C13H17NO3
Molecular Mass: 235.27898
Monoisotopic Mass: 235.12084341
SMILES and InChIs

SMILES:
C1(C(=O)O)(Nc2ccc(cc2)OC)CCCC1
Canonical SMILES:
COc1ccc(cc1)NC1(CCCC1)C(=O)O
InChI:
InChI=1S/C13H17NO3/c1-17-11-6-4-10(5-7-11)14-13(12(15)16)8-2-3-9-13/h4-7,14H,2-3,8-9H2,1H3,(H,15,16)
InChIKey:
RJXWLNSCBGKJTQ-UHFFFAOYSA-N

Cite this record

CBID:310460 http://www.chembase.cn/molecule-310460.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[(4-methoxyphenyl)amino]cyclopentane-1-carboxylic acid
IUPAC Traditional name
1-[(4-methoxyphenyl)amino]cyclopentane-1-carboxylic acid
Synonyms
1-[(4-methoxyphenyl)amino]cyclopentanecarboxylic acid
CAS Number
859181-99-0
MDL Number
MFCD05864387

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.044721797  LogD (pH = 7.4) -0.75783926 
Log P 0.760295  Molar Refractivity 65.2526 cm3
Polarizability 24.827944 Å3 Polar Surface Area 58.56 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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