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22996-21-0 | 4-Methoxy-2-nitrobenzaldehyde
CAS No: 22996-21-0 Catalog No: AG003LME MDL No:MFCD00024254
Product Description
Catalog Number:
AG003LME
Chemical Name:
4-Methoxy-2-nitrobenzaldehyde
CAS Number:
22996-21-0
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD00024254
IUPAC Name:
4-methoxy-2-nitrobenzaldehyde
InChI:
InChI=1S/C8H7NO4/c1-13-7-3-2-6(5-10)8(4-7)9(11)12/h2-5H,1H3
InChI Key:
KLTDQLIGNSBZPO-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)[N+](=O)[O-])C=O
NSC Number:
617208
Properties
Complexity:
201
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:
0
Isotope Atom Count:
0
Molecular Weight:
181.147g/mol
Monoisotopic Mass:
181.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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