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127019-98-1 | 1H-Indole-2-acetic acid, 1-methyl-
CAS No: 127019-98-1 Catalog No: AG000WK8 MDL No:MFCD01463649
Product Description
Catalog Number:
AG000WK8
Chemical Name:
1H-Indole-2-acetic acid, 1-methyl-
CAS Number:
127019-98-1
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD01463649
IUPAC Name:
2-(1-methylindol-2-yl)acetic acid
InChI:
InChI=1S/C11H11NO2/c1-12-9(7-11(13)14)6-8-4-2-3-5-10(8)12/h2-6H,7H2,1H3,(H,13,14)
InChI Key:
WOSJKENLZHUUMC-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc2c(n1C)cccc2
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| The light-induced reactions of tryptophan with halocompounds. | Photochemistry and photobiology 20020401 |
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