3-(2-oxopropyl)benzoic acid

3-(2-oxopropyl)benzoic acid

CAS: 205927-63-5

Formula: C10H10O3

SMILES: CC(=O)CC1=CC=CC(=C1)C(O)=O

IUPAC: 3-(2-oxopropyl)benzoic acid

InChI: InChI=1S/C10H10O3/c1-7(11)5-8-3-2-4-9(6-8)10(12)13/h2-4,6H,5H2,1H3,(H,12,13)

Composition: C (67.41%), H (5.66%), O (26.94%)

Molar Mass: 178.187

Atom Count: 23

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	178.062994182
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	PUKRMMAKVJOWIF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.17
Topological Polar Surface Area	54.37
Polarizability	18.26
Ring Count	1
Rotatable Bond Count	3

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