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798555-63-2 | 4-Hexenoic acid, 4-amino-2-methyl-6-oxo-6-phenyl-, methyl ester, (4Z)-
CAS No: 798555-63-2 Catalog No: AG004ZNR MDL No:
Product Description
Catalog Number:
AG004ZNR
Chemical Name:
4-Hexenoic acid, 4-amino-2-methyl-6-oxo-6-phenyl-, methyl ester, (4Z)-
CAS Number:
798555-63-2
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
IUPAC Name:
methyl 4-amino-2-methyl-6-oxo-6-phenylhex-4-enoate
InChI:
InChI=1S/C14H17NO3/c1-10(14(17)18-2)8-12(15)9-13(16)11-6-4-3-5-7-11/h3-7,9-10H,8,15H2,1-2H3
InChI Key:
ZPNOSIAWWAAVBG-UHFFFAOYSA-N
SMILES:
COC(=O)C(C/C(=C/C(=O)c1ccccc1)/N)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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