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
