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1397002-81-1 | Benzeneacetic acid, α-(diethoxyphosphinyl)-3-methyl-, methyl ester
CAS No: 1397002-81-1 Catalog No: AG001BIU MDL No:
Product Description
Catalog Number:
AG001BIU
Chemical Name:
Benzeneacetic acid, α-(diethoxyphosphinyl)-3-methyl-, methyl ester
CAS Number:
1397002-81-1
Molecular Formula:
C14H21O5P
Molecular Weight:
300.2873
IUPAC Name:
methyl 2-diethoxyphosphoryl-2-(3-methylphenyl)acetate
InChI:
InChI=1S/C14H21O5P/c1-5-18-20(16,19-6-2)13(14(15)17-4)12-9-7-8-11(3)10-12/h7-10,13H,5-6H2,1-4H3
InChI Key:
MLOIYQJOHBDMJU-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(c1cccc(c1)C)C(=O)OC)OCC
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.113g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.291g/mol
Monoisotopic Mass:
300.113g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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