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1246471-38-4 | 1H-Pyrazole-4-carboxylic acid, 3-cyclopropyl-, ethyl ester
CAS No: 1246471-38-4 Catalog No: AG000MIO MDL No:MFCD17171378
Product Description
Catalog Number:
AG000MIO
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 3-cyclopropyl-, ethyl ester
CAS Number:
1246471-38-4
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD17171378
IUPAC Name:
ethyl 5-cyclopropyl-1H-pyrazole-4-carboxylate
InChI:
InChI=1S/C9H12N2O2/c1-2-13-9(12)7-5-10-11-8(7)6-3-4-6/h5-6H,2-4H2,1H3,(H,10,11)
InChI Key:
HGCJVGPZFAUPOM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c[nH]nc1C1CC1
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
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