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13148-05-5 | Butanoic acid, 3-oxo-4-(triphenylphosphoranylidene)-, ethyl ester
CAS No: 13148-05-5 Catalog No: AG000WAB MDL No:MFCD00192162
Product Description
Catalog Number:
AG000WAB
Chemical Name:
Butanoic acid, 3-oxo-4-(triphenylphosphoranylidene)-, ethyl ester
CAS Number:
13148-05-5
Molecular Formula:
C24H23O3P
Molecular Weight:
390.4114
MDL Number:
MFCD00192162
IUPAC Name:
ethyl 3-oxo-4-(triphenyl-λ5-phosphanylidene)butanoate
InChI:
InChI=1S/C24H23O3P/c1-2-27-24(26)18-20(25)19-28(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,19H,2,18H2,1H3
InChI Key:
QYXSFVCJCUXGJH-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.138g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.419g/mol
Monoisotopic Mass:
390.138g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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