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18108-86-6 | 1H-Indole-1-propanoic acid, 5-methyl-
CAS No: 18108-86-6 Catalog No: AG0022OG MDL No:MFCD18064678
Product Description
Catalog Number:
AG0022OG
Chemical Name:
1H-Indole-1-propanoic acid, 5-methyl-
CAS Number:
18108-86-6
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD18064678
IUPAC Name:
3-(5-methylindol-1-yl)propanoic acid
InChI:
InChI=1S/C12H13NO2/c1-9-2-3-11-10(8-9)4-6-13(11)7-5-12(14)15/h2-4,6,8H,5,7H2,1H3,(H,14,15)
InChI Key:
LUGRUQKMQDKPLR-UHFFFAOYSA-N
SMILES:
OC(=O)CCn1ccc2c1ccc(c2)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:
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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