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Home > Indoles and Oxindole > 114046-11-6
114046-11-6 | 1H-Indole-3-undecanoic acid, methyl ester
CAS No: 114046-11-6 Catalog No: AG000ADP MDL No:
Product Description
Catalog Number:
AG000ADP
Chemical Name:
1H-Indole-3-undecanoic acid, methyl ester
CAS Number:
114046-11-6
Molecular Formula:
C20H29NO2
Molecular Weight:
315.4498
IUPAC Name:
methyl 11-(1H-indol-3-yl)undecanoate
InChI:
InChI=1S/C20H29NO2/c1-23-20(22)15-9-7-5-3-2-4-6-8-12-17-16-21-19-14-11-10-13-18(17)19/h10-11,13-14,16,21H,2-9,12,15H2,1H3
InChI Key:
WZYOCSSBUMLWCX-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCCCCCc1c[nH]c2c1cccc2
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.22g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.457g/mol
Monoisotopic Mass:
315.22g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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