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116333-50-7 | Pentanoic acid, 3-[2-(7-ethyl-5,6-dihydroxy-1H-indol-3-yl)ethoxy]-
CAS No: 116333-50-7 Catalog No: AG000C7X MDL No:
Product Description
Catalog Number:
AG000C7X
Chemical Name:
Pentanoic acid, 3-[2-(7-ethyl-5,6-dihydroxy-1H-indol-3-yl)ethoxy]-
CAS Number:
116333-50-7
Molecular Formula:
C17H23NO5
Molecular Weight:
321.3682
IUPAC Name:
3-[2-(7-ethyl-5,6-dihydroxy-1H-indol-3-yl)ethoxy]pentanoic acid
InChI:
InChI=1S/C17H23NO5/c1-3-11(7-15(20)21)23-6-5-10-9-18-16-12(4-2)17(22)14(19)8-13(10)16/h8-9,11,18-19,22H,3-7H2,1-2H3,(H,20,21)
InChI Key:
OHTIZNHYLDEWMW-UHFFFAOYSA-N
SMILES:
CCC(CC(=O)O)OCCc1c[nH]c2c1cc(O)c(c2CC)O
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.158g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
321.373g/mol
Monoisotopic Mass:
321.158g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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