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1152582-56-3 | 1H-Pyrazole-4-acetic acid, 1-methyl-
CAS No: 1152582-56-3 Catalog No: AG000GIR MDL No:MFCD09925217
Product Description
Catalog Number:
AG000GIR
Chemical Name:
1H-Pyrazole-4-acetic acid, 1-methyl-
CAS Number:
1152582-56-3
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
MDL Number:
MFCD09925217
IUPAC Name:
2-(1-methylpyrazol-4-yl)acetic acid
InChI:
InChI=1S/C6H8N2O2/c1-8-4-5(3-7-8)2-6(9)10/h3-4H,2H2,1H3,(H,9,10)
InChI Key:
CVVXBWFAPQPDCQ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cnn(c1)C
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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