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octadecylphosphonic acid

octadecylphosphonic acid

CAS: 4724-47-4

Formula: C18H39O3P

SMILES: CCCCCCCCCCCCCCCCCCP(O)(O)=O

IUPAC: octadecylphosphonic acid

InChI: InChI=1S/C18H39O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3,(H2,19,20,21)

Composition: C (64.64%), H (11.75%), O (14.35%), P (9.26%)

Molar Mass: 334.481

Atom Count: 61

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 334.263682114
Formal Charge 0
FSP3 1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey FTMKAMVLFVRZQX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 95.59
Topological Polar Surface Area 57.53
Polarizability 38.03
Ring Count 0
Rotatable Bond Count 17

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