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1000576-28-2 | 1H-Indazole-5-carboxylic acid, 1-(tetrahydro-2H-pyran-2-yl)-
CAS No: 1000576-28-2 Catalog No: AG0000R4 MDL No:MFCD09870060
Product Description
Catalog Number:
AG0000R4
Chemical Name:
1H-Indazole-5-carboxylic acid, 1-(tetrahydro-2H-pyran-2-yl)-
CAS Number:
1000576-28-2
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
MDL Number:
MFCD09870060
IUPAC Name:
1-(oxan-2-yl)indazole-5-carboxylic acid
InChI:
InChI=1S/C13H14N2O3/c16-13(17)9-4-5-11-10(7-9)8-14-15(11)12-3-1-2-6-18-12/h4-5,7-8,12H,1-3,6H2,(H,16,17)
InChI Key:
MNUJUQSXOGLRNS-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)cnn2C1CCCCO1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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