Home Carboxys 4-(2-hydroxypropyl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid

4-(2-hydroxypropyl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid

CAS No.:
1049030-19-4
Catalog Number:
AG019UFH
Molecular Formula:
C7H10N2O4
Molecular Weight:
186.1653
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Product Description
Catalog Number:
AG019UFH
Chemical Name:
4-(2-hydroxypropyl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid
CAS Number:
1049030-19-4
Molecular Formula:
C7H10N2O4
Molecular Weight:
186.1653
MDL Number:
MFCD11101105
IUPAC Name:
4-(2-hydroxypropyl)-5-oxo-1,2-dihydropyrazole-3-carboxylic acid
InChI:
InChI=1S/C7H10N2O4/c1-3(10)2-4-5(7(12)13)8-9-6(4)11/h3,10H,2H2,1H3,(H,12,13)(H2,8,9,11)
InChI Key:
XIAUIPUBJGVUDU-UHFFFAOYSA-N
SMILES:
CC(Cc1c(=O)[nH][nH]c1C(=O)O)O
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.064g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
186.167g/mol
Monoisotopic Mass:
186.064g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties