200,000+ products from a single source!
sales@angenechem.com
113808-86-9 | 1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-
CAS No: 113808-86-9 Catalog No: AG0009QO MDL No:MFCD00159642
Product Description
Catalog Number:
AG0009QO
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-
CAS Number:
113808-86-9
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
MDL Number:
MFCD00159642
IUPAC Name:
3,5-dimethyl-1H-pyrazole-4-carboxylic acid
InChI:
InChI=1S/C6H8N2O2/c1-3-5(6(9)10)4(2)8-7-3/h1-2H3,(H,7,8)(H,9,10)
InChI Key:
IOOWDXMXZBYKLR-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)n[nH]c1C
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| A soft copper(II) porous coordination polymer with unprecedented aqua bridge and selective adsorption properties. | Chemistry (Weinheim an der Bergstrasse, Germany) 20121008 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.