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hexadecylphosphonic acid

hexadecylphosphonic acid

CAS: 4721-17-9

Formula: C16H35O3P

SMILES: CCCCCCCCCCCCCCCCP(O)(O)=O

IUPAC: hexadecylphosphonic acid

InChI: InChI=1S/C16H35O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3,(H2,17,18,19)

Composition: C (62.72%), H (11.51%), O (15.66%), P (10.11%)

Molar Mass: 306.427

Atom Count: 55

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 306.232381985
Formal Charge 0
FSP3 1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey JDPSFRXPDJVJMV-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 86.39
Topological Polar Surface Area 57.53
Polarizability 34.35
Ring Count 0
Rotatable Bond Count 15

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