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704-13-2 | 3-Hydroxy-4-nitrobenzaldehyde
CAS No: 704-13-2 Catalog No: AG005V64 MDL No:MFCD00007109
Product Description
Catalog Number:
AG005V64
Chemical Name:
3-Hydroxy-4-nitrobenzaldehyde
CAS Number:
704-13-2
Molecular Formula:
C7H5NO4
Molecular Weight:
167.1189
MDL Number:
MFCD00007109
IUPAC Name:
3-hydroxy-4-nitrobenzaldehyde
InChI:
InChI=1S/C7H5NO4/c9-4-5-1-2-6(8(11)12)7(10)3-5/h1-4,10H
InChI Key:
AUBBVPIQUDFRQI-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)O)[N+](=O)[O-]
EC Number:
211-879-7
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.12g/mol
Monoisotopic Mass:
167.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Stereocontrolled synthesis of an indole moiety of sespendole and stereochemical assignment of the side chain. | Organic letters 20120106 |
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