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15803-27-7 | 1H-Pyrazole-3-carboxylic acid, 4,5-dimethyl-, ethyl ester
CAS No: 15803-27-7 Catalog No: AG001PXQ MDL No:MFCD22572310
Product Description
Catalog Number:
AG001PXQ
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 4,5-dimethyl-, ethyl ester
CAS Number:
15803-27-7
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD22572310
IUPAC Name:
ethyl 4,5-dimethyl-1H-pyrazole-3-carboxylate
InChI:
InChI=1S/C8H12N2O2/c1-4-12-8(11)7-5(2)6(3)9-10-7/h4H2,1-3H3,(H,9,10)
InChI Key:
NFKJSKVAOLQEDS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1n[nH]c(c1C)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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