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Home > Indoles and Oxindole > 1212269-83-4
1212269-83-4 | cis-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindole
CAS No: 1212269-83-4 Catalog No: AG00J20C MDL No:MFCD12198447
Product Description
Catalog Number:
AG00J20C
Chemical Name:
cis-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindole
CAS Number:
1212269-83-4
Molecular Formula:
C9H15N
Molecular Weight:
137.2221
MDL Number:
MFCD12198447
IUPAC Name:
(3aR,7aS)-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-isoindole
InChI:
InChI=1S/C9H15N/c1-7-2-3-8-5-10-6-9(8)4-7/h2,8-10H,3-6H2,1H3/t8-,9+/m1/s1
InChI Key:
OVBKKDSRBCCWSP-BDAKNGLRSA-N
SMILES:
CC1=CC[C@H]2[C@@H](C1)CNC2
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
137.12g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
137.226g/mol
Monoisotopic Mass:
137.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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