5-cyano-4-oxopentanoic acid

5-cyano-4-oxopentanoic acid

CAS: 142896-52-4

Formula: C6H7NO3

SMILES: OC(=O)CCC(=O)CC#N

IUPAC: 5-cyano-4-oxopentanoic acid

InChI: InChI=1S/C6H7NO3/c7-4-3-5(8)1-2-6(9)10/h1-3H2,(H,9,10)

Composition: C (51.07%), H (5.00%), N (9.93%), O (34.01%)

Molar Mass: 141.126

Atom Count: 17

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	141.042593089
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	FXMXIVOCBFWTPO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	32.41
Topological Polar Surface Area	78.16
Polarizability	12.36
Ring Count	0
Rotatable Bond Count	4

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