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83141-00-8 | 3-(2,5-DIMETHYL-1H-PYRROL-1-YL)-2-METHYLBENZOIC ACID
CAS No: 83141-00-8 Catalog No: AG0050EJ MDL No:MFCD02085007
Product Description
Catalog Number:
AG0050EJ
Chemical Name:
3-(2,5-DIMETHYL-1H-PYRROL-1-YL)-2-METHYLBENZOIC ACID
CAS Number:
83141-00-8
Molecular Formula:
C14H15NO2
Molecular Weight:
229.2744
MDL Number:
MFCD02085007
IUPAC Name:
3-(2,5-dimethylpyrrol-1-yl)-2-methylbenzoic acid
InChI:
InChI=1S/C14H15NO2/c1-9-7-8-10(2)15(9)13-6-4-5-12(11(13)3)14(16)17/h4-8H,1-3H3,(H,16,17)
InChI Key:
KUCNTTWMSZKVRI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1C)n1c(C)ccc1C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.279g/mol
Monoisotopic Mass:
229.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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