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19936-22-2 | BENZOIC ACID, 4-CYCLOPENTYL-
CAS No: 19936-22-2 Catalog No: AG002C3R MDL No:MFCD11111737
Product Description
Catalog Number:
AG002C3R
Chemical Name:
BENZOIC ACID, 4-CYCLOPENTYL-
CAS Number:
19936-22-2
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
MDL Number:
MFCD11111737
IUPAC Name:
4-cyclopentylbenzoic acid
InChI:
InChI=1S/C12H14O2/c13-12(14)11-7-5-10(6-8-11)9-3-1-2-4-9/h5-9H,1-4H2,(H,13,14)
InChI Key:
URANGAMHASGWGX-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)C1CCCC1
Properties
Complexity:
198
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:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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