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1150164-05-8 | 1H-Pyrazole-4-carboxylic acid, 3-cyclopropyl-, methyl ester
CAS No: 1150164-05-8 Catalog No: AG000FNY MDL No:MFCD11855888
Product Description
Catalog Number:
AG000FNY
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 3-cyclopropyl-, methyl ester
CAS Number:
1150164-05-8
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD11855888
IUPAC Name:
methyl 5-cyclopropyl-1H-pyrazole-4-carboxylate
InChI:
InChI=1S/C8H10N2O2/c1-12-8(11)6-4-9-10-7(6)5-2-3-5/h4-5H,2-3H2,1H3,(H,9,10)
InChI Key:
WNRWNMMDWGFLJY-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]nc1C1CC1
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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