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756760-16-4 | 1H-Pyrrole-2-carboxylicacid, 1,3,5-trimethyl-
CAS No: 756760-16-4 Catalog No: AG005IXP MDL No:
Product Description
Catalog Number:
AG005IXP
Chemical Name:
1H-Pyrrole-2-carboxylicacid, 1,3,5-trimethyl-
CAS Number:
756760-16-4
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
IUPAC Name:
1,3,5-trimethylpyrrole-2-carboxylic acid
InChI:
InChI=1S/C8H11NO2/c1-5-4-6(2)9(3)7(5)8(10)11/h4H,1-3H3,(H,10,11)
InChI Key:
UUYNZCLYPLJBTG-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)cc(n1C)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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