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113423-89-5

113423-89-5 | 1H-1,2,3-Triazole-4-carboxylic acid, 1-(1-naphthalenyl)-

CAS No: 113423-89-5 Catalog No: AG0008J9 MDL No:

Product Description

Catalog Number:
AG0008J9
Chemical Name:
1H-1,2,3-Triazole-4-carboxylic acid, 1-(1-naphthalenyl)-
CAS Number:
113423-89-5
Molecular Formula:
C13H9N3O2
Molecular Weight:
239.2295
IUPAC Name:
1-naphthalen-1-yltriazole-4-carboxylic acid
InChI:
InChI=1S/C13H9N3O2/c17-13(18)11-8-16(15-14-11)12-7-3-5-9-4-1-2-6-10(9)12/h1-8H,(H,17,18)
InChI Key:
ICWUCXPZSYRKBZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1nnn(c1)c1cccc2c1cccc2

Properties

Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.069g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
239.234g/mol
Monoisotopic Mass:
239.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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