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Home > Indoles and Oxindole > 25177-65-5
25177-65-5 | 1H-Indole-3-hexanoic acid
CAS No: 25177-65-5 Catalog No: AG002QRL MDL No:MFCD00661577
Product Description
Catalog Number:
AG002QRL
Chemical Name:
1H-Indole-3-hexanoic acid
CAS Number:
25177-65-5
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
MDL Number:
MFCD00661577
IUPAC Name:
6-(1H-indol-3-yl)hexanoic acid
InChI:
InChI=1S/C14H17NO2/c16-14(17)9-3-1-2-6-11-10-15-13-8-5-4-7-12(11)13/h4-5,7-8,10,15H,1-3,6,9H2,(H,16,17)
InChI Key:
MDAWQYLSKUSBQG-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCc1c[nH]c2c1cccc2
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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