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1227267-25-5

1227267-25-5 | 1H-Indazole-3-carboxylic acid, 6-phenyl-

CAS No: 1227267-25-5 Catalog No: AG000J2Y MDL No:

Product Description

Catalog Number:
AG000J2Y
Chemical Name:
1H-Indazole-3-carboxylic acid, 6-phenyl-
CAS Number:
1227267-25-5
Molecular Formula:
C14H10N2O2
Molecular Weight:
238.2414
IUPAC Name:
6-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxylic acid
InChI:
InChI=1S/C14H18N2O2/c17-14(18)13-11-7-6-10(8-12(11)15-16-13)9-4-2-1-3-5-9/h1-5,10-13,15-16H,6-8H2,(H,17,18)
InChI Key:
MGKABHJWVMLRTE-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]c2c1ccc(c2)c1ccccc1

Properties

Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.137g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
246.31g/mol
Monoisotopic Mass:
246.137g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  

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