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Home > Nitro Compounds > 824431-63-2
824431-63-2 | 6-Heptenoic acid, 2-[(4E)-5-(4-nitrophenyl)-4-pentenyl]-7-phenyl-, (6E)-
CAS No: 824431-63-2 Catalog No: AG004VZS MDL No:
Product Description
Catalog Number:
AG004VZS
Chemical Name:
6-Heptenoic acid, 2-[(4E)-5-(4-nitrophenyl)-4-pentenyl]-7-phenyl-, (6E)-
CAS Number:
824431-63-2
Molecular Formula:
C24H27NO4
Molecular Weight:
393.4755
IUPAC Name:
2-[5-(4-nitrophenyl)pent-4-enyl]-7-phenylhept-6-enoic acid
InChI:
InChI=1S/C24H27NO4/c26-24(27)22(14-8-2-6-12-20-10-4-1-5-11-20)15-9-3-7-13-21-16-18-23(19-17-21)25(28)29/h1,4-7,10-13,16-19,22H,2-3,8-9,14-15H2,(H,26,27)
InChI Key:
CWJHVUWDHZFJNO-UHFFFAOYSA-N
SMILES:
OC(=O)C(CCC/C=C/c1ccccc1)CCC/C=C/c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.194g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
393.483g/mol
Monoisotopic Mass:
393.194g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
6.6
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