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16634-91-6 | Benzaldehyde, 2-methyl-5-nitro-
CAS No: 16634-91-6 Catalog No: AG001WNU MDL No:MFCD03840506
Product Description
Catalog Number:
AG001WNU
Chemical Name:
Benzaldehyde, 2-methyl-5-nitro-
CAS Number:
16634-91-6
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
MDL Number:
MFCD03840506
IUPAC Name:
2-methyl-5-nitrobenzaldehyde
InChI:
InChI=1S/C8H7NO3/c1-6-2-3-8(9(11)12)4-7(6)5-10/h2-5H,1H3
InChI Key:
JLFWTLNLOSUFMU-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1C)[N+](=O)[O-]
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.148g/mol
Monoisotopic Mass:
165.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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