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88429-08-7 | 1(2H)-Naphthalenone, 2-diazo-4-hydroxy-
CAS No: 88429-08-7 Catalog No: AG004ESC MDL No:
Product Description
Catalog Number:
AG004ESC
Chemical Name:
1(2H)-Naphthalenone, 2-diazo-4-hydroxy-
CAS Number:
88429-08-7
Molecular Formula:
C10H6N2O2
Molecular Weight:
186.1668
IUPAC Name:
2-diazonio-4-hydroxynaphthalen-1-olate
InChI:
InChI=1S/C10H6N2O2/c11-12-8-5-9(13)6-3-1-2-4-7(6)10(8)14/h1-5,11H
InChI Key:
VKJKYTKFQIVETB-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=C1C=C(O)c2c(C1=O)cccc2
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.17g/mol
Monoisotopic Mass:
186.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Preparation of alpha-diazocarbonyl compounds from beta-lapachone derivatives and other 1,2-naphthoquinones: use of the 2D NMR 1H,15N and 1H,13C HMBC techniques in assigning regiochemistry. | Magnetic resonance in chemistry : MRC 20060401 |
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