2-(thiophen-2-ylmethyl)benzoic acid

2-(thiophen-2-ylmethyl)benzoic acid

CAS: 62636-87-7

Formula: C12H10O2S

SMILES: OC(=O)C1=C(CC2=CC=CS2)C=CC=C1

IUPAC: 2-[(thiophen-2-yl)methyl]benzoic acid

InChI: InChI=1S/C12H10O2S/c13-12(14)11-6-2-1-4-9(11)8-10-5-3-7-15-10/h1-7H,8H2,(H,13,14)

Composition: C (66.03%), H (4.62%), O (14.66%), S (14.69%)

Molar Mass: 218.27

Atom Count: 25

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	218.040150736
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	HPADQOOYORSPFA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.1
Topological Polar Surface Area	37.3
Polarizability	22.66
Ring Count	2
Rotatable Bond Count	3

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