5-hydroxyhept-4-en-3-one

5-hydroxyhept-4-en-3-one

CAS: 7424-54-6

Formula: C7H12O2

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

IUPAC: 5-hydroxyhept-4-en-3-one

InChI: InChI=1S/C7H12O2/c1-3-6(8)5-7(9)4-2/h5,8H,3-4H2,1-2H3

Composition: C (65.60%), H (9.44%), O (24.97%)

Molar Mass: 128.171

Atom Count: 21

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	128.083729626
Formal Charge	0
FSP3	0.57
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	TVXLKVCZEAYIOO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.79
Topological Polar Surface Area	37.3
Polarizability	14.07
Ring Count	0
Rotatable Bond Count	3

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