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1248548-23-3 | 1H-Pyrazole-4-acetic acid, 1-methyl-, methyl ester
CAS No: 1248548-23-3 Catalog No: AG000MSQ MDL No:MFCD17267695
Product Description
Catalog Number:
AG000MSQ
Chemical Name:
1H-Pyrazole-4-acetic acid, 1-methyl-, methyl ester
CAS Number:
1248548-23-3
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
MDL Number:
MFCD17267695
IUPAC Name:
methyl 2-(1-methylpyrazol-4-yl)acetate
InChI:
InChI=1S/C7H10N2O2/c1-9-5-6(4-8-9)3-7(10)11-2/h4-5H,3H2,1-2H3
InChI Key:
GQPDBLNFHVXFRN-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1cnn(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:
0
Isotope Atom Count:
0
Molecular Weight:
154.169g/mol
Monoisotopic Mass:
154.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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