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124-83-4 molecular structure
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7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid

ChemBase ID: 180020
Molecular Formular: C10H16O2
Molecular Mass: 168.23284
Monoisotopic Mass: 168.11502975
SMILES and InChIs

SMILES:
C(=O)(C12CCC(CC1)C2(C)C)O
Canonical SMILES:
OC(=O)C12CCC(C2(C)C)CC1
InChI:
InChI=1S/C10H16O2/c1-9(2)7-3-5-10(9,6-4-7)8(11)12/h7H,3-6H2,1-2H3,(H,11,12)
InChIKey:
ICBQBQPJLPHGKS-UHFFFAOYSA-N

Cite this record

CBID:180020 http://www.chembase.cn/molecule-180020.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid
IUPAC Traditional name
7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid
Synonyms
D-camphoric acid
CAS Number
124-83-4
PubChem SID
164235930
PubChem CID
297894

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Chemik CHO0055 external link Add to cart
PubChem 297894 external link
Data Source Data ID Price
Chemik
CHO0055 external link Add to cart Please log in.
Data Source Data ID
PubChem 297894 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.7452865  H Acceptors
H Donor LogD (pH = 5.5) 1.5876034 
LogD (pH = 7.4) -0.18931887  Log P 2.4119616 
Molar Refractivity 45.516 cm3 Polarizability 18.20762 Å3
Polar Surface Area 37.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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