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88626-01-1 | Phosphoric acid, 1-methyl-3-oxo-1-butenyl diphenyl ester
CAS No: 88626-01-1 Catalog No: AG004AJS MDL No:
Product Description
Catalog Number:
AG004AJS
Chemical Name:
Phosphoric acid, 1-methyl-3-oxo-1-butenyl diphenyl ester
CAS Number:
88626-01-1
Molecular Formula:
C17H17O5P
Molecular Weight:
332.2876
IUPAC Name:
4-oxopent-2-en-2-yl diphenyl phosphate
InChI:
InChI=1S/C17H17O5P/c1-14(18)13-15(2)20-23(19,21-16-9-5-3-6-10-16)22-17-11-7-4-8-12-17/h3-13H,1-2H3
InChI Key:
VZNJNQWWOKUSCO-UHFFFAOYSA-N
SMILES:
CC(=O)C=C(OP(=O)(Oc1ccccc1)Oc1ccccc1)C
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.081g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.292g/mol
Monoisotopic Mass:
332.081g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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