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792131-42-1 | 1H-Benz[f]isoindole,2,3,3a,4,9,9a-hexahydro-6-methyl-2-(2-propynyl)-,trans-(9CI)
CAS No: 792131-42-1 Catalog No: AG00GQTD MDL No:
Product Description
Catalog Number:
AG00GQTD
Chemical Name:
1H-Benz[f]isoindole,2,3,3a,4,9,9a-hexahydro-6-methyl-2-(2-propynyl)-,trans-(9CI)
CAS Number:
792131-42-1
IUPAC Name:
(3aS,9aS)-6-methyl-2-prop-2-ynyl-1,3,3a,4,9,9a-hexahydrobenzo[f]isoindole
InChI:
InChI=1S/C16H19N/c1-3-6-17-10-15-8-13-5-4-12(2)7-14(13)9-16(15)11-17/h1,4-5,7,15-16H,6,8-11H2,2H3/t15-,16-/m1/s1
InChI Key:
QAQBGIRNFZUJBI-HZPDHXFCSA-N
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
225.152g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.335g/mol
Monoisotopic Mass:
225.152g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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