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199480-28-9 | 1H-Pyrazole-5-carboxylic acid, 3-(hydroxymethyl)-1-methyl-, ethyl ester
CAS No: 199480-28-9 Catalog No: AG002C5N MDL No:
Product Description
Catalog Number:
AG002C5N
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 3-(hydroxymethyl)-1-methyl-, ethyl ester
CAS Number:
199480-28-9
Molecular Formula:
C8H12N2O3
Molecular Weight:
184.1925
IUPAC Name:
ethyl 5-(hydroxymethyl)-2-methylpyrazole-3-carboxylate
InChI:
InChI=1S/C8H12N2O3/c1-3-13-8(12)7-4-6(5-11)9-10(7)2/h4,11H,3,5H2,1-2H3
InChI Key:
NAILRRQHNORYGN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(nn1C)CO
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.085g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.195g/mol
Monoisotopic Mass:
184.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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