6-hydroxy-4-oxohept-5-enoic acid

6-hydroxy-4-oxohept-5-enoic acid

CAS: 51568-18-4

Formula: C7H10O4

SMILES: CC(O)=CC(=O)CCC(O)=O

IUPAC: 6-hydroxy-4-oxohept-5-enoic acid

InChI: InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h4,8H,2-3H2,1H3,(H,10,11)

Composition: C (53.16%), H (6.37%), O (40.46%)

Molar Mass: 158.153

Atom Count: 21

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	158.057908802
Formal Charge	0
FSP3	0.43
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	ZWXFRNQSKLFJAJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.53
Topological Polar Surface Area	74.6
Polarizability	14.69
Ring Count	0
Rotatable Bond Count	4

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