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1867157-28-5 | 3-cyclopropyl-4-methyl-1H-pyrazole-5-carboxylic acid
CAS No: 1867157-28-5 Catalog No: AG01FLTY MDL No:MFCD20535329
Product Description
Catalog Number:
AG01FLTY
Chemical Name:
3-cyclopropyl-4-methyl-1H-pyrazole-5-carboxylic acid
CAS Number:
1867157-28-5
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD20535329
IUPAC Name:
5-cyclopropyl-4-methyl-1H-pyrazole-3-carboxylic acid
InChI:
InChI=1S/C8H10N2O2/c1-4-6(5-2-3-5)9-10-7(4)8(11)12/h5H,2-3H2,1H3,(H,9,10)(H,11,12)
InChI Key:
RHFFKLZKZRMDEU-UHFFFAOYSA-N
SMILES:
OC(=O)c1[nH]nc(c1C)C1CC1
Properties
Complexity:
203
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:
2
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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