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1157561-99-3 | 2-(1-phenyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid
CAS No: 1157561-99-3 Catalog No: AG01FLUL MDL No:MFCD12068243
Product Description
Catalog Number:
AG01FLUL
Chemical Name:
2-(1-phenyl-1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid
CAS Number:
1157561-99-3
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
MDL Number:
MFCD12068243
IUPAC Name:
2-(1-phenylpyrazol-4-yl)cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C13H12N2O2/c16-13(17)12-6-11(12)9-7-14-15(8-9)10-4-2-1-3-5-10/h1-5,7-8,11-12H,6H2,(H,16,17)
InChI Key:
HRUXUHQNXUDJEP-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC1c1cnn(c1)c1ccccc1
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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