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828291-35-6 | 2-Octenoic acid, 7-[[(1R)-1-phenylethyl]imino]-, methyl ester
CAS No: 828291-35-6 Catalog No: AG0055OV MDL No:
Product Description
Catalog Number:
AG0055OV
Chemical Name:
2-Octenoic acid, 7-[[(1R)-1-phenylethyl]imino]-, methyl ester
CAS Number:
828291-35-6
Molecular Formula:
C17H23NO2
Molecular Weight:
273.3700
IUPAC Name:
methyl 7-[(1R)-1-phenylethyl]iminooct-2-enoate
InChI:
InChI=1S/C17H23NO2/c1-14(10-6-4-9-13-17(19)20-3)18-15(2)16-11-7-5-8-12-16/h5,7-9,11-13,15H,4,6,10H2,1-3H3/t15-/m1/s1
InChI Key:
HPAVYIZEZYTQEG-OAHLLOKOSA-N
SMILES:
COC(=O)C=CCCCC(=N[C@@H](c1ccccc1)C)C
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
273.173g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.376g/mol
Monoisotopic Mass:
273.173g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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