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13321-61-4 | Propanoic acid, 2-oxo-3-(triphenylphosphoranylidene)-, ethyl ester
CAS No: 13321-61-4 Catalog No: AG0014EN MDL No:MFCD00208428
Product Description
Catalog Number:
AG0014EN
Chemical Name:
Propanoic acid, 2-oxo-3-(triphenylphosphoranylidene)-, ethyl ester
CAS Number:
13321-61-4
Molecular Formula:
C23H21O3P
Molecular Weight:
376.3848
MDL Number:
MFCD00208428
IUPAC Name:
ethyl 2-oxo-3-(triphenyl-λ5-phosphanylidene)propanoate
InChI:
InChI=1S/C23H21O3P/c1-2-26-23(25)22(24)18-27(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,2H2,1H3
InChI Key:
OQLOPRPWPANPIE-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
NSC Number:
647346
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.123g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.392g/mol
Monoisotopic Mass:
376.123g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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