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69944-75-8 | 2-Butenoic acid, 2-[(phenylmethylene)amino]-, methyl ester
CAS No: 69944-75-8 Catalog No: AG005H1C MDL No:
Product Description
Catalog Number:
AG005H1C
Chemical Name:
2-Butenoic acid, 2-[(phenylmethylene)amino]-, methyl ester
CAS Number:
69944-75-8
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
IUPAC Name:
methyl 2-(benzylideneamino)but-2-enoate
InChI:
InChI=1S/C12H13NO2/c1-3-11(12(14)15-2)13-9-10-7-5-4-6-8-10/h3-9H,1-2H3
InChI Key:
LWUHDOLQICHZCA-UHFFFAOYSA-N
SMILES:
COC(=O)C(=CC)N=Cc1ccccc1
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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