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123374-28-7 | 1H-Pyrazole-4-carboxylic acid, 3-propyl-, ethyl ester
CAS No: 123374-28-7 Catalog No: AG000KH3 MDL No:MFCD01570118
Product Description
Catalog Number:
AG000KH3
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 3-propyl-, ethyl ester
CAS Number:
123374-28-7
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
MDL Number:
MFCD01570118
IUPAC Name:
ethyl 5-propyl-1H-pyrazole-4-carboxylate
InChI:
InChI=1S/C9H14N2O2/c1-3-5-8-7(6-10-11-8)9(12)13-4-2/h6H,3-5H2,1-2H3,(H,10,11)
InChI Key:
CNHUAGMMONCJCE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c[nH]nc1CCC
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.223g/mol
Monoisotopic Mass:
182.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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