Home Carboxes 1015846-06-6
1015846-06-6,MFCD08691921
Catalog No.:AA0004TA
1015846-06-6 | 1-Allyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$294.00   $206.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0004TA
Chemical Name:
1-Allyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
CAS Number:
1015846-06-6
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD08691921
IUPAC Name:
3,5-dimethyl-1-prop-2-enylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C9H12N2O2/c1-4-5-11-7(3)8(9(12)13)6(2)10-11/h4H,1,5H2,2-3H3,(H,12,13)
InChI Key:
WCYLMCFEDFIENC-UHFFFAOYSA-N
SMILES:
C=CCn1nc(c(c1C)C(=O)O)C
Properties
Computed Properties
 
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Synonyms
 
1015846-06-6 
1-ALLYL-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID 
Y-4559 
1-Allyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid, AldrichCPR 
1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-1-(2-propen-1-yl)- 
3,5-Dimethyl-1-(prop-2-en-1-yl)-1H-pyrazole-4-carboxylic acid 
SCHEMBL20378245 
CTK3J9960 
DTXSID10651108 
MFCD08691921 
ZINC19094239 
AKOS009585163 
AJ-72383 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A