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133261-06-0 | 1H-Pyrazole-3-carboxylic acid, 5-cyclopropyl-, ethyl ester
CAS No: 133261-06-0 Catalog No: AG0014IG MDL No:MFCD08277218
Product Description
Catalog Number:
AG0014IG
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-cyclopropyl-, ethyl ester
CAS Number:
133261-06-0
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD08277218
IUPAC Name:
ethyl 5-cyclopropyl-1H-pyrazole-3-carboxylate
InChI:
InChI=1S/C9H12N2O2/c1-2-13-9(12)8-5-7(10-11-8)6-3-4-6/h5-6H,2-4H2,1H3,(H,10,11)
InChI Key:
KGGGSOGFJKVURE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc([nH]n1)C1CC1
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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