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89525-29-1 | 2,6-Heptadienoic acid, 2-(acetylamino)-, methyl ester, (Z)-
CAS No: 89525-29-1 Catalog No: AG00407D MDL No:
Product Description
Catalog Number:
AG00407D
Chemical Name:
2,6-Heptadienoic acid, 2-(acetylamino)-, methyl ester, (Z)-
CAS Number:
89525-29-1
Molecular Formula:
C10H15NO3
Molecular Weight:
197.2310
IUPAC Name:
methyl 2-acetamidohepta-2,6-dienoate
InChI:
InChI=1S/C10H15NO3/c1-4-5-6-7-9(10(13)14-3)11-8(2)12/h4,7H,1,5-6H2,2-3H3,(H,11,12)
InChI Key:
UNJKNEXPHROKAW-UHFFFAOYSA-N
SMILES:
C=CCC/C=C(/C(=O)OC)\NC(=O)C
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.234g/mol
Monoisotopic Mass:
197.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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