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80410-57-7 | 3-Methoxy-4-nitrobenzaldehyde
CAS No: 80410-57-7 Catalog No: AG005LZF MDL No:MFCD08703367
Product Description
Catalog Number:
AG005LZF
Chemical Name:
3-Methoxy-4-nitrobenzaldehyde
CAS Number:
80410-57-7
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD08703367
IUPAC Name:
3-methoxy-4-nitrobenzaldehyde
InChI:
InChI=1S/C8H7NO4/c1-13-8-4-6(5-10)2-3-7(8)9(11)12/h2-5H,1H3
InChI Key:
WUTIWOZYHHSBBU-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)ccc1[N+](=O)[O-]
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:
1.4
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