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101561-12-0 | 2-Butenoic acid, 3-(2-benzoyldiazenyl)-, methyl ester
CAS No: 101561-12-0 Catalog No: AG0004SG MDL No:
Product Description
Catalog Number:
AG0004SG
Chemical Name:
2-Butenoic acid, 3-(2-benzoyldiazenyl)-, methyl ester
CAS Number:
101561-12-0
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
IUPAC Name:
methyl 3-(benzoyldiazenyl)but-2-enoate
InChI:
InChI=1S/C12H12N2O3/c1-9(8-11(15)17-2)13-14-12(16)10-6-4-3-5-7-10/h3-8H,1-2H3
InChI Key:
PLIQXKXYPLCYRX-UHFFFAOYSA-N
SMILES:
COC(=O)C=C(N=NC(=O)c1ccccc1)C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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