(2Z)-3-{[4-(hydroxymethyl)phenyl]carbamoyl}prop-2-enoic acid

(2Z)-3-{[4-(hydroxymethyl)phenyl]carbamoyl}prop-2-enoic acid

CAS: 1440537-87-0

Formula: C11H11NO4

SMILES: OCC1=CC=C(NC(=O)C=C/C(O)=O)C=C1

IUPAC: (2Z)-3-{[4-(hydroxymethyl)phenyl]carbamoyl}prop-2-enoic acid

InChI: InChI=1S/C11H11NO4/c13-7-8-1-3-9(4-2-8)12-10(14)5-6-11(15)16/h1-6,13H,7H2,(H,12,14)(H,15,16)/b6-5-

Composition: C (59.73%), H (5.01%), N (6.33%), O (28.93%)

Molar Mass: 221.212

Atom Count: 27

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	221.068807838
Formal Charge	0
FSP3	0.09
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	WZHNKWMVTJPCFI-WAYWQWQTSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.7
Topological Polar Surface Area	86.63
Polarizability	21.67
Ring Count	1
Rotatable Bond Count	4

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	1440537-87-0		$51.35-$86.31$51.35$63.37$86.31