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74422-90-5

74422-90-5 | Benzaldehyde, 2,5-dimethoxy-3-nitro-

CAS No: 74422-90-5 Catalog No: AG005L34 MDL No:

Product Description

Catalog Number:
AG005L34
Chemical Name:
Benzaldehyde, 2,5-dimethoxy-3-nitro-
CAS Number:
74422-90-5
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
IUPAC Name:
2,5-dimethoxy-3-nitrobenzaldehyde
InChI:
InChI=1S/C9H9NO5/c1-14-7-3-6(5-11)9(15-2)8(4-7)10(12)13/h3-5H,1-2H3
InChI Key:
SSAQZDIQGZMYFA-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)c(c(c1)[N+](=O)[O-])OC

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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