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88302-11-8 | 2,4-Hexadienoic acid, 4-acetyl-5-amino-, methyl ester
CAS No: 88302-11-8 Catalog No: AG0049H4 MDL No:
Product Description
Catalog Number:
AG0049H4
Chemical Name:
2,4-Hexadienoic acid, 4-acetyl-5-amino-, methyl ester
CAS Number:
88302-11-8
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
IUPAC Name:
methyl 4-acetyl-5-aminohexa-2,4-dienoate
InChI:
InChI=1S/C9H13NO3/c1-6(10)8(7(2)11)4-5-9(12)13-3/h4-5H,10H2,1-3H3
InChI Key:
AREIDJIWHZKLGL-UHFFFAOYSA-N
SMILES:
COC(=O)C=CC(=C(N)C)C(=O)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.207g/mol
Monoisotopic Mass:
183.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
0.7
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