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2531-63-7 | 2,3-Dimethoxy-6-nitro-benzaldehyde
CAS No: 2531-63-7 Catalog No: AG01EUM4 MDL No:
Product Description
Catalog Number:
AG01EUM4
Chemical Name:
2,3-Dimethoxy-6-nitro-benzaldehyde
CAS Number:
2531-63-7
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
IUPAC Name:
2,3-dimethoxy-6-nitrobenzaldehyde
InChI:
InChI=1S/C9H9NO5/c1-14-8-4-3-7(10(12)13)6(5-11)9(8)15-2/h3-5H,1-2H3
InChI Key:
KWXFQMHMUVDCGC-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1OC)C=O)[N+](=O)[O-]
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.173g/mol
Monoisotopic Mass:
211.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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