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1018446-60-0 | 1H-Pyrazole-3-carboxylic acid, 5-hydroxy-, methyl ester
CAS No: 1018446-60-0 Catalog No: AG0005PG MDL No:MFCD09878841
Product Description
Catalog Number:
AG0005PG
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-hydroxy-, methyl ester
CAS Number:
1018446-60-0
Molecular Formula:
C5H6N2O3
Molecular Weight:
142.1127
MDL Number:
MFCD09878841
IUPAC Name:
methyl 5-oxo-1,2-dihydropyrazole-3-carboxylate
InChI:
InChI=1S/C5H6N2O3/c1-10-5(9)3-2-4(8)7-6-3/h2H,1H3,(H2,6,7,8)
InChI Key:
JTJZOTYGFHOHMK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc([nH]n1)O
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.038g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
142.114g/mol
Monoisotopic Mass:
142.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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