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247583-69-3 | 1H-Pyrazole-3-carboxylic acid, 1-methyl-5-propyl-, ethyl ester
CAS No: 247583-69-3 Catalog No: AG002PCK MDL No:MFCD04115092
Product Description
Catalog Number:
AG002PCK
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 1-methyl-5-propyl-, ethyl ester
CAS Number:
247583-69-3
Molecular Formula:
C10H16N2O2
Molecular Weight:
196.2462
MDL Number:
MFCD04115092
IUPAC Name:
ethyl 1-methyl-5-propylpyrazole-3-carboxylate
InChI:
InChI=1S/C10H16N2O2/c1-4-6-8-7-9(11-12(8)3)10(13)14-5-2/h7H,4-6H2,1-3H3
InChI Key:
RUCHDNJKZWSJHB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(n(n1)C)CCC
EC Number:
607-431-9
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.25g/mol
Monoisotopic Mass:
196.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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