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1007503-15-2 | 1H-Pyrazole-3-carboxylic acid, 1-ethyl-, ethyl ester
CAS No: 1007503-15-2 Catalog No: AG0002SZ MDL No:MFCD08700856
Product Description
Catalog Number:
AG0002SZ
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 1-ethyl-, ethyl ester
CAS Number:
1007503-15-2
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD08700856
IUPAC Name:
ethyl 1-ethylpyrazole-3-carboxylate
InChI:
InChI=1S/C8H12N2O2/c1-3-10-6-5-7(9-10)8(11)12-4-2/h5-6H,3-4H2,1-2H3
InChI Key:
KDWBNCMQHDWOOR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccn(n1)CC
Properties
Complexity:
161
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:
0
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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