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68007-03-4 | Benzaldehyde, 2-hydroxy-3-methyl-5-nitro-
CAS No: 68007-03-4 Catalog No: AG005NX4 MDL No:MFCD01040325
Product Description
Catalog Number:
AG005NX4
Chemical Name:
Benzaldehyde, 2-hydroxy-3-methyl-5-nitro-
CAS Number:
68007-03-4
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD01040325
IUPAC Name:
2-hydroxy-3-methyl-5-nitrobenzaldehyde
InChI:
InChI=1S/C8H7NO4/c1-5-2-7(9(12)13)3-6(4-10)8(5)11/h2-4,11H,1H3
InChI Key:
BENQWWGSDGYLAU-UHFFFAOYSA-N
SMILES:
O=Cc1cc(cc(c1O)C)[N+](=O)[O-]
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.147g/mol
Monoisotopic Mass:
181.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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