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14186-50-6 | 1H-Pyrrole-3-carboxylic acid, 1,2,5-trimethyl-, methyl ester
CAS No: 14186-50-6 Catalog No: AG001H9T MDL No:MFCD00203867
Product Description
Catalog Number:
AG001H9T
Chemical Name:
1H-Pyrrole-3-carboxylic acid, 1,2,5-trimethyl-, methyl ester
CAS Number:
14186-50-6
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD00203867
IUPAC Name:
methyl 1,2,5-trimethylpyrrole-3-carboxylate
InChI:
InChI=1S/C9H13NO2/c1-6-5-8(9(11)12-4)7(2)10(6)3/h5H,1-4H3
InChI Key:
VRUCCWQGKPXNMI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(n(c1C)C)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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