1-hydroxyhept-6-yn-3-one

1-hydroxyhept-6-yn-3-one

CAS: 1450754-40-1

Formula: C7H10O2

SMILES: OCCC(=O)CCC#C

IUPAC: 1-hydroxyhept-6-yn-3-one

InChI: InChI=1S/C7H10O2/c1-2-3-4-7(9)5-6-8/h1,8H,3-6H2

Composition: C (66.65%), H (7.99%), O (25.36%)

Molar Mass: 126.155

Atom Count: 19

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	126.068079562
Formal Charge	0
FSP3	0.57
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ZQZAQQAINFKNQT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	34.89
Topological Polar Surface Area	37.3
Polarizability	13.23
Ring Count	0
Rotatable Bond Count	4

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