200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1167056-66-7
1167056-66-7 | 1H-Indazole-3-carboxylic acid, 4-cyano-, methyl ester
CAS No: 1167056-66-7 Catalog No: AG000D3S MDL No:
Product Description
Catalog Number:
AG000D3S
Chemical Name:
1H-Indazole-3-carboxylic acid, 4-cyano-, methyl ester
CAS Number:
1167056-66-7
Molecular Formula:
C10H7N3O2
Molecular Weight:
201.1815
IUPAC Name:
methyl 4-cyano-1H-indazole-3-carboxylate
InChI:
InChI=1S/C10H7N3O2/c1-15-10(14)9-8-6(5-11)3-2-4-7(8)12-13-9/h2-4H,1H3,(H,12,13)
InChI Key:
WQLVVPMNQTVYMQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1n[nH]c2c1c(C#N)ccc2
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.054g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.185g/mol
Monoisotopic Mass:
201.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.