Butylphosphonic acid, 4-isopropylphenyl propyl ester

Butylphosphonic acid, 4-isopropylphenyl propyl ester
Compound Structure:
Synonyms: Butylphosphonic acid, 4-isopropylphenyl propyl ester
Compound ID: NMPC-703
PubChem ID:

91740846
Molecular Formula: C16H27O3P
Canonical SMILES: CCCCP(=O)(OCCC)OC1=CC=C(C=C1)C(C)C
InChIKey: DMWLIDDRGZMZEJ-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

298.36 g/mol

XLogP3-AA

4.6

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

3

Rotatable Bond Count

9

Exact Mass

298.16978172 g/mol

Monoisotopic Mass

298.16978172 g/mol

Topological Polar Surface Area

35.5Ų

Heavy Atom Count

20

Formal Charge

0

Complexity

296

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

1

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                                               
Source Species: Pentaclethra macrophylla
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