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19920-79-7 | Benzoic acid, 3-cyclopentyl-
CAS No: 19920-79-7 Catalog No: AG002BZM MDL No:MFCD20486552
Product Description
Catalog Number:
AG002BZM
Chemical Name:
Benzoic acid, 3-cyclopentyl-
CAS Number:
19920-79-7
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
MDL Number:
MFCD20486552
IUPAC Name:
3-cyclopentylbenzoic acid
InChI:
InChI=1S/C12H14O2/c13-12(14)11-7-3-6-10(8-11)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,13,14)
InChI Key:
GQVWASOWRGJNCI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)C1CCCC1
NSC Number:
126990
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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