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88057-24-3 | Acetonitrile, methoxy(triphenylphosphoranylidene)-
CAS No: 88057-24-3 Catalog No: AG004LCN MDL No:
Product Description
Catalog Number:
AG004LCN
Chemical Name:
Acetonitrile, methoxy(triphenylphosphoranylidene)-
CAS Number:
88057-24-3
Molecular Formula:
C21H18NOP
Molecular Weight:
331.3475
IUPAC Name:
2-methoxy-2-(triphenyl-λ5-phosphanylidene)acetonitrile
InChI:
InChI=1S/C21H18NOP/c1-23-21(17-22)24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3
InChI Key:
MWOITGAFIKOPCJ-UHFFFAOYSA-N
SMILES:
COC(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C#N
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.113g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.355g/mol
Monoisotopic Mass:
331.113g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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