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15142-91-3 | 1H-Indole-3-propanoic acid, α-methyl-
CAS No: 15142-91-3 Catalog No: AG001NCH MDL No:MFCD01860840
Product Description
Catalog Number:
AG001NCH
Chemical Name:
1H-Indole-3-propanoic acid, α-methyl-
CAS Number:
15142-91-3
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD01860840
IUPAC Name:
3-(1H-indol-3-yl)-2-methylpropanoic acid
InChI:
InChI=1S/C12H13NO2/c1-8(12(14)15)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6H2,1H3,(H,14,15)
InChI Key:
JDZNIWUNOASRIK-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1c[nH]c2c1cccc2)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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