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Home > Aldehydes > 501931-58-4
501931-58-4 | 4-ethenyl-3-nitrobenzaldehyde
CAS No: 501931-58-4 Catalog No: AG01BIKQ MDL No:MFCD30751024
Product Description
Catalog Number:
AG01BIKQ
Chemical Name:
4-ethenyl-3-nitrobenzaldehyde
CAS Number:
501931-58-4
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD30751024
IUPAC Name:
4-ethenyl-3-nitrobenzaldehyde
InChI:
InChI=1S/C9H7NO3/c1-2-8-4-3-7(6-11)5-9(8)10(12)13/h2-6H,1H2
InChI Key:
LUMKJUFDWDAFMF-UHFFFAOYSA-N
SMILES:
C=Cc1ccc(cc1[N+](=O)[O-])C=O
Properties
Complexity:
221
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:
2
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