3-hydroxyheptanoic acid

3-hydroxyheptanoic acid

CAS: 17587-29-0

Formula: C7H14O3

SMILES: CCCCC(O)CC(O)=O

IUPAC: 3-hydroxyheptanoic acid

InChI: InChI=1/C7H14O3/c1-2-3-4-6(8)5-7(9)10/h6,8H,2-5H2,1H3,(H,9,10)

Composition: C (57.51%), H (9.65%), O (32.83%)

Molar Mass: 146.186

Atom Count: 24

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	146.094294311
Formal Charge	0
FSP3	0.86
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	OXSSIXNFGTZQMZ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.19
Topological Polar Surface Area	57.53
Polarizability	14.8
Ring Count	0
Rotatable Bond Count	5

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