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15357-92-3 | 7-BENZYLOXY-6-METHOXY-3,4-DIHYDRO-ISOQUINOLINE
CAS No: 15357-92-3 Catalog No: AG00ACUK MDL No:MFCD11501199
Product Description
Catalog Number:
AG00ACUK
Chemical Name:
7-BENZYLOXY-6-METHOXY-3,4-DIHYDRO-ISOQUINOLINE
CAS Number:
15357-92-3
Molecular Formula:
C17H17NO2
Molecular Weight:
267.3224
MDL Number:
MFCD11501199
IUPAC Name:
6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinoline
InChI:
InChI=1S/C17H17NO2/c1-19-16-9-14-7-8-18-11-15(14)10-17(16)20-12-13-5-3-2-4-6-13/h2-6,9-11H,7-8,12H2,1H3
InChI Key:
KPCZWMYFJQPPSN-UHFFFAOYSA-N
SMILES:
COc1cc2CCN=Cc2cc1OCc1ccccc1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.328g/mol
Monoisotopic Mass:
267.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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