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102732-63-8 | 1H-Pyrazole-3-acetic acid
CAS No: 102732-63-8 Catalog No: AG000898 MDL No:MFCD03161180
Product Description
Catalog Number:
AG000898
Chemical Name:
1H-Pyrazole-3-acetic acid
CAS Number:
102732-63-8
Molecular Formula:
C5H6N2O2
Molecular Weight:
126.1133
MDL Number:
MFCD03161180
IUPAC Name:
2-(1H-pyrazol-5-yl)acetic acid
InChI:
InChI=1S/C5H6N2O2/c8-5(9)3-4-1-2-6-7-4/h1-2H,3H2,(H,6,7)(H,8,9)
InChI Key:
NTVKSUPEUFXUGS-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc[nH]n1
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.043g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
126.115g/mol
Monoisotopic Mass:
126.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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