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144333-90-4 | 2-Butenedioic acid (2Z)-, monomethyl ester, (diphenylmethylene)hydrazide (9CI)
CAS No: 144333-90-4 Catalog No: AG001JCC MDL No:
Product Description
Catalog Number:
AG001JCC
Chemical Name:
2-Butenedioic acid (2Z)-, monomethyl ester, (diphenylmethylene)hydrazide (9CI)
CAS Number:
144333-90-4
Molecular Formula:
C18H16N2O3
Molecular Weight:
308.3312
IUPAC Name:
methyl 4-(2-benzhydrylidenehydrazinyl)-4-oxobut-2-enoate
InChI:
InChI=1S/C18H16N2O3/c1-23-17(22)13-12-16(21)19-20-18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13H,1H3,(H,19,21)
InChI Key:
HYWITPJGOLMEHL-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C\C(=O)NN=C(c1ccccc1)c1ccccc1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.116g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.337g/mol
Monoisotopic Mass:
308.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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