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113619-28-6 | 2-Butenoic acid, 3-[2-(diethoxyphosphinyl)diazenyl]-, methyl ester
CAS No: 113619-28-6 Catalog No: AG000964 MDL No:
Product Description
Catalog Number:
AG000964
Chemical Name:
2-Butenoic acid, 3-[2-(diethoxyphosphinyl)diazenyl]-, methyl ester
CAS Number:
113619-28-6
Molecular Formula:
C9H17N2O5P
Molecular Weight:
264.2154
IUPAC Name:
methyl 3-(diethoxyphosphoryldiazenyl)but-2-enoate
InChI:
InChI=1S/C9H17N2O5P/c1-5-15-17(13,16-6-2)11-10-8(3)7-9(12)14-4/h7H,5-6H2,1-4H3
InChI Key:
UMTUYIRCSCIGPC-UHFFFAOYSA-N
SMILES:
CCOP(=O)(N=NC(=CC(=O)OC)C)OCC
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.088g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.218g/mol
Monoisotopic Mass:
264.088g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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