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200396-55-0 | 5-ETHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
CAS No: 200396-55-0 Catalog No: AG01BZKY MDL No:MFCD13179468
Product Description
Catalog Number:
AG01BZKY
Chemical Name:
5-ETHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
CAS Number:
200396-55-0
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
MDL Number:
MFCD13179468
IUPAC Name:
5-ethoxy-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C11H15NO/c1-2-13-11-5-3-4-9-8-12-7-6-10(9)11/h3-5,12H,2,6-8H2,1H3
InChI Key:
AWRQODHATCUSAP-UHFFFAOYSA-N
SMILES:
CCOc1cccc2c1CCNC2
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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