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Home > Indoles and Oxindole > 683800-27-3
683800-27-3 | 1H-Indole, 5-methoxy-2-(4-pentenyl)-
CAS No: 683800-27-3 Catalog No: AG006415 MDL No:
Product Description
Catalog Number:
AG006415
Chemical Name:
1H-Indole, 5-methoxy-2-(4-pentenyl)-
CAS Number:
683800-27-3
Molecular Formula:
C14H17NO
Molecular Weight:
215.2909
IUPAC Name:
5-methoxy-2-pent-4-enyl-1H-indole
InChI:
InChI=1S/C14H17NO/c1-3-4-5-6-12-9-11-10-13(16-2)7-8-14(11)15-12/h3,7-10,15H,1,4-6H2,2H3
InChI Key:
QXCXGGFMPIFYCE-UHFFFAOYSA-N
SMILES:
C=CCCCc1cc2c([nH]1)ccc(c2)OC
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.296g/mol
Monoisotopic Mass:
215.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
25A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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