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180741-44-0 | 1H-Pyrazole-1-acetic acid, 5-methyl-
CAS No: 180741-44-0 Catalog No: AG0022AE MDL No:MFCD03419599
Product Description
Catalog Number:
AG0022AE
Chemical Name:
1H-Pyrazole-1-acetic acid, 5-methyl-
CAS Number:
180741-44-0
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
MDL Number:
MFCD03419599
IUPAC Name:
2-(5-methylpyrazol-1-yl)acetic acid
InChI:
InChI=1S/C6H8N2O2/c1-5-2-3-7-8(5)4-6(9)10/h2-3H,4H2,1H3,(H,9,10)
InChI Key:
ZRXVSPAUYVSVNR-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1nccc1C
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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