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739365-10-7 | 1-(2-METHYLPROPYL)-1H-INDOLE-3-CARBOXYLIC ACID
CAS No: 739365-10-7 Catalog No: AG005IVF MDL No:MFCD11155412
Product Description
Catalog Number:
AG005IVF
Chemical Name:
1-(2-METHYLPROPYL)-1H-INDOLE-3-CARBOXYLIC ACID
CAS Number:
739365-10-7
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
MDL Number:
MFCD11155412
IUPAC Name:
1-(2-methylpropyl)indole-3-carboxylic acid
InChI:
InChI=1S/C13H15NO2/c1-9(2)7-14-8-11(13(15)16)10-5-3-4-6-12(10)14/h3-6,8-9H,7H2,1-2H3,(H,15,16)
InChI Key:
NIWSUEFMFADENR-UHFFFAOYSA-N
SMILES:
CC(Cn1cc(c2c1cccc2)C(=O)O)C
Properties
Complexity:
265
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:
2.8
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