200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1233243-59-8
1233243-59-8 | 1H-Indazole-3-carboxylic acid, 4,5,6,7-tetrahydro-1,6,6-trimethyl-
CAS No: 1233243-59-8 Catalog No: AG000KBY MDL No:MFCD24481536
Product Description
Catalog Number:
AG000KBY
Chemical Name:
1H-Indazole-3-carboxylic acid, 4,5,6,7-tetrahydro-1,6,6-trimethyl-
CAS Number:
1233243-59-8
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
MDL Number:
MFCD24481536
IUPAC Name:
1,6,6-trimethyl-5,7-dihydro-4H-indazole-3-carboxylic acid
InChI:
InChI=1S/C11H16N2O2/c1-11(2)5-4-7-8(6-11)13(3)12-9(7)10(14)15/h4-6H2,1-3H3,(H,14,15)
InChI Key:
XFHSCNOSXYOIBH-UHFFFAOYSA-N
SMILES:
Cn1nc(c2c1CC(C)(C)CC2)C(=O)O
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.261g/mol
Monoisotopic Mass:
208.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.