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137499-31-1 | 1H-Indole-5-carboxylic acid, 3-(1,2,3,6-tetrahydro-1-methyl-4-pyridinyl)-
CAS No: 137499-31-1 Catalog No: AG0013DD MDL No:
Product Description
Catalog Number:
AG0013DD
Chemical Name:
1H-Indole-5-carboxylic acid, 3-(1,2,3,6-tetrahydro-1-methyl-4-pyridinyl)-
CAS Number:
137499-31-1
Molecular Formula:
C15H16N2O2
Molecular Weight:
256.2997
IUPAC Name:
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxylic acid
InChI:
InChI=1S/C15H16N2O2/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15(18)19)8-12(13)14/h2-4,8-9,16H,5-7H2,1H3,(H,18,19)
InChI Key:
SQIKSDTWWCLKAA-UHFFFAOYSA-N
SMILES:
CN1CCC(=CC1)c1c[nH]c2c1cc(cc2)C(=O)O
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.305g/mol
Monoisotopic Mass:
256.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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