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1397000-17-7 | Benzeneacetic acid, α-(diethoxyphosphinyl)-4-methoxy-, methyl ester
CAS No: 1397000-17-7 Catalog No: AG001BIV MDL No:
Product Description
Catalog Number:
AG001BIV
Chemical Name:
Benzeneacetic acid, α-(diethoxyphosphinyl)-4-methoxy-, methyl ester
CAS Number:
1397000-17-7
Molecular Formula:
C14H21O6P
Molecular Weight:
316.2867
IUPAC Name:
methyl 2-diethoxyphosphoryl-2-(4-methoxyphenyl)acetate
InChI:
InChI=1S/C14H21O6P/c1-5-19-21(16,20-6-2)13(14(15)18-4)11-7-9-12(17-3)10-8-11/h7-10,13H,5-6H2,1-4H3
InChI Key:
MQQWZLZPWLVGQL-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(c1ccc(cc1)OC)C(=O)OC)OCC
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.108g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.29g/mol
Monoisotopic Mass:
316.108g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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