4-(prop-2-en-1-ylamino)benzoic acid

4-(prop-2-en-1-ylamino)benzoic acid

CAS: 53624-18-3

Formula: C10H11NO2

SMILES: OC(=O)C1=CC=C(NCC=C)C=C1

IUPAC: 4-[(prop-2-en-1-yl)amino]benzoic acid

InChI: InChI=1S/C10H11NO2/c1-2-7-11-9-5-3-8(4-6-9)10(12)13/h2-6,11H,1,7H2,(H,12,13)

Composition: C (67.78%), H (6.26%), N (7.90%), O (18.06%)

Molar Mass: 177.203

Atom Count: 24

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	177.078978598
Formal Charge	0
FSP3	0.1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	KAAMYCLKDWDNNY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.67
Topological Polar Surface Area	49.33
Polarizability	19.07
Ring Count	1
Rotatable Bond Count	4

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