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Home > Indoles and Oxindole > 917883-01-3
917883-01-3 | 3-Octen-2-ol, 8-(1,3-dihydro-2H-isoindol-2-yl)-4-methyl-, (3Z)-
CAS No: 917883-01-3 Catalog No: AG006C1B MDL No:
Product Description
Catalog Number:
AG006C1B
Chemical Name:
3-Octen-2-ol, 8-(1,3-dihydro-2H-isoindol-2-yl)-4-methyl-, (3Z)-
CAS Number:
917883-01-3
Molecular Formula:
C17H25NO
Molecular Weight:
259.3865
IUPAC Name:
8-(1,3-dihydroisoindol-2-yl)-4-methyloct-3-en-2-ol
InChI:
InChI=1S/C17H25NO/c1-14(11-15(2)19)7-5-6-10-18-12-16-8-3-4-9-17(16)13-18/h3-4,8-9,11,15,19H,5-7,10,12-13H2,1-2H3
InChI Key:
OVTVQJNBPLWVCJ-UHFFFAOYSA-N
SMILES:
CC(/C=C(\CCCCN1Cc2c(C1)cccc2)/C)O
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.194g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.393g/mol
Monoisotopic Mass:
259.194g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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