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Home > Nitro Compounds > 89188-69-2
89188-69-2 | 2-Penten-1-ol, 4-nitro-5-phenyl-4-(phenylmethyl)-, (Z)-
CAS No: 89188-69-2 Catalog No: AG003VQ1 MDL No:
Product Description
Catalog Number:
AG003VQ1
Chemical Name:
2-Penten-1-ol, 4-nitro-5-phenyl-4-(phenylmethyl)-, (Z)-
CAS Number:
89188-69-2
Molecular Formula:
C18H19NO3
Molecular Weight:
297.3484
IUPAC Name:
4-benzyl-4-nitro-5-phenylpent-2-en-1-ol
InChI:
InChI=1S/C18H19NO3/c20-13-7-12-18(19(21)22,14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-12,20H,13-15H2
InChI Key:
BZGRHPCVWUUCIL-UHFFFAOYSA-N
SMILES:
OC/C=C\C([N+](=O)[O-])(Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.136g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.354g/mol
Monoisotopic Mass:
297.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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