2-(phenylformamido)pentanedioic acid

2-(phenylformamido)pentanedioic acid

CAS: 19812-93-2

Formula: C12H13NO5

SMILES: OC(=O)CCC(NC(=O)C1=CC=CC=C1)C(O)=O

IUPAC: 2-(phenylformamido)pentanedioic acid

InChI: InChI=1/C12H13NO5/c14-10(15)7-6-9(12(17)18)13-11(16)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)(H,14,15)(H,17,18)

Composition: C (57.37%), H (5.22%), N (5.58%), O (31.84%)

Molar Mass: 251.238

Atom Count: 31

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	251.079372523
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	LPJXPACOXRZCCP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.4
Topological Polar Surface Area	103.7
Polarizability	23.52
Ring Count	1
Rotatable Bond Count	6

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98%	<10 Days	19812-93-2		Quote Only