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211568-35-3 | Isoquinoline, 2-(2Z)-2-butenyl-1,2,3,4-tetrahydro-
CAS No: 211568-35-3 Catalog No: AG007OX4 MDL No:
Product Description
Catalog Number:
AG007OX4
Chemical Name:
Isoquinoline, 2-(2Z)-2-butenyl-1,2,3,4-tetrahydro-
CAS Number:
211568-35-3
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
IUPAC Name:
2-but-2-enyl-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C13H17N/c1-2-3-9-14-10-8-12-6-4-5-7-13(12)11-14/h2-7H,8-11H2,1H3
InChI Key:
BGBFRYWZMBFBLR-UHFFFAOYSA-N
SMILES:
C/C=C\CN1CCc2c(C1)cccc2
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.286g/mol
Monoisotopic Mass:
187.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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