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102440-24-4 | 1H-Pyrrole-3-carboxylic acid, 2-methyl-4-(1-methylethyl)-
CAS No: 102440-24-4 Catalog No: AG0007HQ MDL No:
Product Description
Catalog Number:
AG0007HQ
Chemical Name:
1H-Pyrrole-3-carboxylic acid, 2-methyl-4-(1-methylethyl)-
CAS Number:
102440-24-4
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
IUPAC Name:
2-methyl-4-propan-2-yl-1H-pyrrole-3-carboxylic acid
InChI:
InChI=1S/C9H13NO2/c1-5(2)7-4-10-6(3)8(7)9(11)12/h4-5,10H,1-3H3,(H,11,12)
InChI Key:
LTVCHIWXEGUZJN-UHFFFAOYSA-N
SMILES:
CC(c1c[nH]c(c1C(=O)O)C)C
Properties
Complexity:
179
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:
2
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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