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1150164-48-9 | 1H-Pyrazole-4-carboxylic acid, 5-cyclopropyl-1-phenyl-, methyl ester
CAS No: 1150164-48-9 Catalog No: AG000FOT MDL No:MFCD11855913
Product Description
Catalog Number:
AG000FOT
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 5-cyclopropyl-1-phenyl-, methyl ester
CAS Number:
1150164-48-9
Molecular Formula:
C14H14N2O2
Molecular Weight:
242.2732
MDL Number:
MFCD11855913
IUPAC Name:
methyl 5-cyclopropyl-1-phenylpyrazole-4-carboxylate
InChI:
InChI=1S/C14H14N2O2/c1-18-14(17)12-9-15-16(13(12)10-7-8-10)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3
InChI Key:
HHMVYCHDQQBZOB-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnn(c1C1CC1)c1ccccc1
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.278g/mol
Monoisotopic Mass:
242.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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