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16034-49-4 | 1H-Pyrazole-1-acetic acid, 3,5-dimethyl-
CAS No: 16034-49-4 Catalog No: AG001RUT MDL No:MFCD00297249
Product Description
Catalog Number:
AG001RUT
Chemical Name:
1H-Pyrazole-1-acetic acid, 3,5-dimethyl-
CAS Number:
16034-49-4
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
MDL Number:
MFCD00297249
IUPAC Name:
2-(3,5-dimethylpyrazol-1-yl)acetic acid
InChI:
InChI=1S/C7H10N2O2/c1-5-3-6(2)9(8-5)4-7(10)11/h3H,4H2,1-2H3,(H,10,11)
InChI Key:
JYSWEDYPQJOEPO-UHFFFAOYSA-N
SMILES:
Cc1cc(nn1CC(=O)O)C
Properties
Complexity:
161
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:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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