3-[(ethylcarbamoyl)amino]benzoic acid

3-[(ethylcarbamoyl)amino]benzoic acid

CAS: 23754-39-4

Formula: C10H12N2O3

SMILES: CCNC(=O)NC1=CC(=CC=C1)C(O)=O

IUPAC: 3-[(ethylcarbamoyl)amino]benzoic acid

InChI: InChI=1S/C10H12N2O3/c1-2-11-10(15)12-8-5-3-4-7(6-8)9(13)14/h3-6H,2H2,1H3,(H,13,14)(H2,11,12,15)

Composition: C (57.69%), H (5.81%), N (13.45%), O (23.05%)

Molar Mass: 208.217

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	208.084792254
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	SBLVYUXXTSKRNY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.5
Topological Polar Surface Area	78.43
Polarizability	20.56
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	23754-39-4		$51.35-$598.69$51.35$63.37$86.31$374.73$598.69