4-(2-carbamoylethyl)benzoic acid

4-(2-carbamoylethyl)benzoic acid

CAS: 937642-83-6

Formula: C10H11NO3

SMILES: NC(=O)CCC1=CC=C(C=C1)C(O)=O

IUPAC: 4-(2-carbamoylethyl)benzoic acid

InChI: InChI=1S/C10H11NO3/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-2,4-5H,3,6H2,(H2,11,12)(H,13,14)

Composition: C (62.17%), H (5.74%), N (7.25%), O (24.84%)

Molar Mass: 193.202

Atom Count: 25

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	193.073893218
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	HOJJHPIMYDUOKD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.05
Topological Polar Surface Area	80.39
Polarizability	19.41
Ring Count	1
Rotatable Bond Count	4

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