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2457-72-9 | 1H-Indole-1-propanoic acid, β-methyl-
CAS No: 2457-72-9 Catalog No: AG002OLR MDL No:
Product Description
Catalog Number:
AG002OLR
Chemical Name:
1H-Indole-1-propanoic acid, β-methyl-
CAS Number:
2457-72-9
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
IUPAC Name:
3-indol-1-ylbutanoic acid
InChI:
InChI=1S/C12H13NO2/c1-9(8-12(14)15)13-7-6-10-4-2-3-5-11(10)13/h2-7,9H,8H2,1H3,(H,14,15)
InChI Key:
CRBDMBOXRGTJDX-UHFFFAOYSA-N
SMILES:
OC(=O)CC(n1ccc2c1cccc2)C
EC Number:
219-538-4
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:
1
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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