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Home > Nitro Compounds > 1466-88-2
1466-88-2 | 2-Propenal, 3-(2-nitrophenyl)-
CAS No: 1466-88-2 Catalog No: AG001E6G MDL No:MFCD00007188
Product Description
Catalog Number:
AG001E6G
Chemical Name:
2-Propenal, 3-(2-nitrophenyl)-
CAS Number:
1466-88-2
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD00007188
IUPAC Name:
(E)-3-(2-nitrophenyl)prop-2-enal
InChI:
InChI=1S/C9H7NO3/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-7H/b5-3+
InChI Key:
VMSMELHEXDVEDE-HWKANZROSA-N
SMILES:
O=CC=Cc1ccccc1[N+](=O)[O-]
EC Number:
215-988-0
NSC Number:
28458
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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