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Home > Quinoline > 135675-29-5
135675-29-5 | 1-Furan-2-yl-1,2,3,4-tetrahydro-isoquinoline
CAS No: 135675-29-5 Catalog No: AG01ETEV MDL No:
Product Description
Catalog Number:
AG01ETEV
Chemical Name:
1-Furan-2-yl-1,2,3,4-tetrahydro-isoquinoline
CAS Number:
135675-29-5
Molecular Formula:
C13H13NO
Molecular Weight:
199.2484
IUPAC Name:
1-(furan-2-yl)-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C13H13NO/c1-2-5-11-10(4-1)7-8-14-13(11)12-6-3-9-15-12/h1-6,9,13-14H,7-8H2
InChI Key:
NTXMEXFAECISTB-UHFFFAOYSA-N
SMILES:
c1coc(c1)C1NCCc2c1cccc2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.253g/mol
Monoisotopic Mass:
199.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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