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71463-16-6 | Benzeneacetaldehyde, a-methylene-2-nitro-
CAS No: 71463-16-6 Catalog No: AG005UD6 MDL No:MFCD00052673
Product Description
Catalog Number:
AG005UD6
Chemical Name:
Benzeneacetaldehyde, a-methylene-2-nitro-
CAS Number:
71463-16-6
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD00052673
IUPAC Name:
2-(2-nitrophenyl)prop-2-enal
InChI:
InChI=1S/C9H7NO3/c1-7(6-11)8-4-2-3-5-9(8)10(12)13/h2-6H,1H2
InChI Key:
FKBCCIUGKJBDJE-UHFFFAOYSA-N
SMILES:
O=CC(=C)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
1.8
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