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Home > Nitro Compounds > 89188-67-0
89188-67-0 | 2-Pentenoic acid, 4-nitro-5-phenyl-4-(phenylmethyl)-, methyl ester, (Z)-
CAS No: 89188-67-0 Catalog No: AG003VN2 MDL No:
Product Description
Catalog Number:
AG003VN2
Chemical Name:
2-Pentenoic acid, 4-nitro-5-phenyl-4-(phenylmethyl)-, methyl ester, (Z)-
CAS Number:
89188-67-0
Molecular Formula:
C19H19NO4
Molecular Weight:
325.3585
IUPAC Name:
methyl 4-benzyl-4-nitro-5-phenylpent-2-enoate
InChI:
InChI=1S/C19H19NO4/c1-24-18(21)12-13-19(20(22)23,14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17/h2-13H,14-15H2,1H3
InChI Key:
BQKIXOUNCGVXQT-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C\C([N+](=O)[O-])(Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.131g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.364g/mol
Monoisotopic Mass:
325.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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