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112096-80-7 | Isoquinoline, 1,2-dihydro-1-(2-propenyl)-
CAS No: 112096-80-7 Catalog No: AG007CEO MDL No:
Product Description
Catalog Number:
AG007CEO
Chemical Name:
Isoquinoline, 1,2-dihydro-1-(2-propenyl)-
CAS Number:
112096-80-7
Molecular Formula:
C12H13N
Molecular Weight:
171.2383
IUPAC Name:
1-prop-2-enyl-1,2-dihydroisoquinoline
InChI:
InChI=1S/C12H13N/c1-2-5-12-11-7-4-3-6-10(11)8-9-13-12/h2-4,6-9,12-13H,1,5H2
InChI Key:
MIAMEJQYCGPFGU-UHFFFAOYSA-N
SMILES:
C=CCC1NC=Cc2c1cccc2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.243g/mol
Monoisotopic Mass:
171.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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