3-(5-methoxy-1H-1,3-benzodiazol-2-yl)propanoic acid hydrochloride

3-(5-methoxy-1H-1,3-benzodiazol-2-yl)propanoic acid hydrochloride

CAS: 1185299-60-8

Formula: C11H13ClN2O3

SMILES: Cl.COC1=CC=C2NC(CCC(O)=O)=NC2=C1

IUPAC: 3-(5-methoxy-1H-1,3-benzodiazol-2-yl)propanoic acid hydrochloride

InChI: InChI=1S/C11H12N2O3.ClH/c1-16-7-2-3-8-9(6-7)13-10(12-8)4-5-11(14)15;/h2-3,6H,4-5H2,1H3,(H,12,13)(H,14,15);1H

Composition: C (51.47%), H (5.11%), Cl (13.81%), N (10.91%), O (18.70%)

Molar Mass: 256.69

Atom Count: 30

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	256.06147
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	AMHLFPMQPSRYSS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.77
Topological Polar Surface Area	75.21
Polarizability	23.2
Ring Count	2
Rotatable Bond Count	4

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