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113465-94-4 | 1H-Pyrazole-3-acetic acid, 5-methyl-, methyl ester
CAS No: 113465-94-4 Catalog No: AG0008NZ MDL No:
Product Description
Catalog Number:
AG0008NZ
Chemical Name:
1H-Pyrazole-3-acetic acid, 5-methyl-, methyl ester
CAS Number:
113465-94-4
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
IUPAC Name:
methyl 2-(5-methyl-1H-pyrazol-3-yl)acetate
InChI:
InChI=1S/C7H10N2O2/c1-5-3-6(9-8-5)4-7(10)11-2/h3H,4H2,1-2H3,(H,8,9)
InChI Key:
PZOBTOSWLVLRRG-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1n[nH]c(c1)C
Properties
Complexity:
149
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:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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