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Home > Indoles and Oxindole > 37865-94-4
37865-94-4 | 3-methyl-octahydro-1H-indole
CAS No: 37865-94-4 Catalog No: AG01AIJU MDL No:MFCD02066175
Product Description
Catalog Number:
AG01AIJU
Chemical Name:
3-methyl-octahydro-1H-indole
CAS Number:
37865-94-4
Molecular Formula:
C9H17N
Molecular Weight:
139.2380
MDL Number:
MFCD02066175
IUPAC Name:
3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
InChI:
InChI=1S/C9H17N/c1-7-6-10-9-5-3-2-4-8(7)9/h7-10H,2-6H2,1H3
InChI Key:
ZCJGZUQXRFHPQL-UHFFFAOYSA-N
SMILES:
CC1CNC2C1CCCC2
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.136g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.242g/mol
Monoisotopic Mass:
139.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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