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Home > Indoles and Oxindole > 1781794-17-9
1781794-17-9 | (octahydro-1H-indol-3a-yl)methanol
CAS No: 1781794-17-9 Catalog No: AG01DQJB MDL No:MFCD28642334
Product Description
Catalog Number:
AG01DQJB
Chemical Name:
(octahydro-1H-indol-3a-yl)methanol
CAS Number:
1781794-17-9
Molecular Formula:
C9H17NO
Molecular Weight:
155.2374
MDL Number:
MFCD28642334
IUPAC Name:
1,2,3,4,5,6,7,7a-octahydroindol-3a-ylmethanol
InChI:
InChI=1S/C9H17NO/c11-7-9-4-2-1-3-8(9)10-6-5-9/h8,10-11H,1-7H2
InChI Key:
GBRYIQLRGFVPNI-UHFFFAOYSA-N
SMILES:
OCC12CCCCC2NCC1
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.131g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
155.241g/mol
Monoisotopic Mass:
155.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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