hexylphosphonic acid

hexylphosphonic acid

CAS: 4721-24-8

Formula: C6H15O3P

SMILES: CCCCCCP(O)(O)=O

IUPAC: hexylphosphonic acid

InChI: InChI=1S/C6H15O3P/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3,(H2,7,8,9)

Composition: C (43.37%), H (9.10%), O (28.89%), P (18.64%)

Molar Mass: 166.157

Atom Count: 25

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	166.075881341
Formal Charge	0
FSP3	1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	GJWAEWLHSDGBGG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.38
Topological Polar Surface Area	57.53
Polarizability	16.03
Ring Count	0
Rotatable Bond Count	5

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