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113619-16-2 | Propanoic acid, 2-[2-(diphenylphosphino)hydrazinylidene]-, methyl ester
CAS No: 113619-16-2 Catalog No: AG000966 MDL No:
Product Description
Catalog Number:
AG000966
Chemical Name:
Propanoic acid, 2-[2-(diphenylphosphino)hydrazinylidene]-, methyl ester
CAS Number:
113619-16-2
Molecular Formula:
C16H17N2O2P
Molecular Weight:
300.2921
IUPAC Name:
methyl 2-(diphenylphosphanylhydrazinylidene)propanoate
InChI:
InChI=1S/C16H17N2O2P/c1-13(16(19)20-2)17-18-21(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,18H,1-2H3
InChI Key:
ZZGHOLVJVVJFNX-UHFFFAOYSA-N
SMILES:
COC(=O)C(=NNP(c1ccccc1)c1ccccc1)C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.103g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.298g/mol
Monoisotopic Mass:
300.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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