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99358-21-1 | 2-Hydroxy-4,5-dimethyl-3-nitro-benzaldehyde
CAS No: 99358-21-1 Catalog No: AG01F092 MDL No:
Product Description
Catalog Number:
AG01F092
Chemical Name:
2-Hydroxy-4,5-dimethyl-3-nitro-benzaldehyde
CAS Number:
99358-21-1
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
IUPAC Name:
2-hydroxy-4,5-dimethyl-3-nitrobenzaldehyde
InChI:
InChI=1S/C9H9NO4/c1-5-3-7(4-11)9(12)8(6(5)2)10(13)14/h3-4,12H,1-2H3
InChI Key:
CQXGMGDQNLSOLF-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)c(c(c1O)[N+](=O)[O-])C
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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