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75535-74-9 | 1H-Indole-3-propanoic acid, 1,2-dimethyl-
CAS No: 75535-74-9 Catalog No: AG005K5K MDL No:
Product Description
Catalog Number:
AG005K5K
Chemical Name:
1H-Indole-3-propanoic acid, 1,2-dimethyl-
CAS Number:
75535-74-9
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
3-(1,2-dimethylindol-3-yl)propanoic acid
InChI:
InChI=1S/C13H15NO2/c1-9-10(7-8-13(15)16)11-5-3-4-6-12(11)14(9)2/h3-6H,7-8H2,1-2H3,(H,15,16)
InChI Key:
HECVMOZJLQZOLF-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1c(C)n(c2c1cccc2)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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