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1197943-49-9 | 1H-Indazole-5-carboxylic acid, 7-hydroxy-1-(tetrahydro-2H-pyran-2-yl)-, ethyl ester
CAS No: 1197943-49-9 Catalog No: AG000PMX MDL No:
Product Description
Catalog Number:
AG000PMX
Chemical Name:
1H-Indazole-5-carboxylic acid, 7-hydroxy-1-(tetrahydro-2H-pyran-2-yl)-, ethyl ester
CAS Number:
1197943-49-9
Molecular Formula:
C15H18N2O4
Molecular Weight:
290.3144
IUPAC Name:
ethyl 7-hydroxy-1-(oxan-2-yl)indazole-5-carboxylate
InChI:
InChI=1S/C15H18N2O4/c1-2-20-15(19)10-7-11-9-16-17(14(11)12(18)8-10)13-5-3-4-6-21-13/h7-9,13,18H,2-6H2,1H3
InChI Key:
VORDQTLCWUKJBM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(O)c2c(c1)cnn2C1CCCCO1
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.127g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.319g/mol
Monoisotopic Mass:
290.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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