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31680-08-7 | 4-Methoxy-3-Nitrobenzaldehyde
CAS No: 31680-08-7 Catalog No: AG003439 MDL No:MFCD00126498
Product Description
Catalog Number:
AG003439
Chemical Name:
4-Methoxy-3-Nitrobenzaldehyde
CAS Number:
31680-08-7
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD00126498
IUPAC Name:
4-methoxy-3-nitrobenzaldehyde
InChI:
InChI=1S/C8H7NO4/c1-13-8-3-2-6(5-10)4-7(8)9(11)12/h2-5H,1H3
InChI Key:
YTCRQCGRYCKYNO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1N(=O)=O)C=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:
1.3
Literature
| Title | Journal |
|---|---|
| Antineoplastic agents. 487. Synthesis and biological evaluation of the antineoplastic agent 3,4-methylenedioxy-5,4'-dimethoxy-3'-amino-Z-stilbene and derived amino acid amides. | Journal of medicinal chemistry 20030213 |
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