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10276-87-6 | Phosphoric acid, (3,4-dimethylphenyl)methyl diethyl ester
CAS No: 10276-87-6 Catalog No: AG0008B5 MDL No:
Product Description
Catalog Number:
AG0008B5
Chemical Name:
Phosphoric acid, (3,4-dimethylphenyl)methyl diethyl ester
CAS Number:
10276-87-6
Molecular Formula:
C13H21O4P
Molecular Weight:
272.2772
IUPAC Name:
(3,4-dimethylphenyl)methyl diethyl phosphate
InChI:
InChI=1S/C13H21O4P/c1-5-15-18(14,16-6-2)17-10-13-8-7-11(3)12(4)9-13/h7-9H,5-6,10H2,1-4H3
InChI Key:
XOVCIWPCZPLXPV-UHFFFAOYSA-N
SMILES:
CCOP(=O)(OCc1ccc(c(c1)C)C)OCC
NSC Number:
23745
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.118g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.281g/mol
Monoisotopic Mass:
272.118g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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