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115294-67-2 | 1H-Pyrazole-5-carboxylic acid, 1,3,4-trimethyl-
CAS No: 115294-67-2 Catalog No: AG000GKG MDL No:MFCD18809731
Product Description
Catalog Number:
AG000GKG
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 1,3,4-trimethyl-
CAS Number:
115294-67-2
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
MDL Number:
MFCD18809731
IUPAC Name:
2,4,5-trimethylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C7H10N2O2/c1-4-5(2)8-9(3)6(4)7(10)11/h1-3H3,(H,10,11)
InChI Key:
WOPRYIVMIKGIGV-UHFFFAOYSA-N
SMILES:
OC(=O)c1n(C)nc(c1C)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.169g/mol
Monoisotopic Mass:
154.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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