Home Carboxys 1,3-dimethylcyclopentane-1-carboxylic acid, Mixture of diastereomers

1,3-dimethylcyclopentane-1-carboxylic acid, Mixture of diastereomers

CAS No.:
860379-06-2
Catalog Number:
AG01A16F
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
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Product Description
Catalog Number:
AG01A16F
Chemical Name:
1,3-dimethylcyclopentane-1-carboxylic acid, Mixture of diastereomers
CAS Number:
860379-06-2
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
MDL Number:
MFCD19230599
IUPAC Name:
1,3-dimethylcyclopentane-1-carboxylic acid
InChI:
InChI=1S/C8H14O2/c1-6-3-4-8(2,5-6)7(9)10/h6H,3-5H2,1-2H3,(H,9,10)
InChI Key:
MNBGIYKPOPYYSB-UHFFFAOYSA-N
SMILES:
CC1CCC(C1)(C)C(=O)O
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.099g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
142.198g/mol
Monoisotopic Mass:
142.099g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties