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59895-00-0 | 6,7-DIETHOXY-3,4-DIHYDROISOQUINOLINE HYDROCHLORIDE
CAS No: 59895-00-0 Catalog No: AG00EKA8 MDL No:MFCD11505087
Product Description
Catalog Number:
AG00EKA8
Chemical Name:
6,7-DIETHOXY-3,4-DIHYDROISOQUINOLINE HYDROCHLORIDE
CAS Number:
59895-00-0
Molecular Formula:
C13H18ClNO2
Molecular Weight:
255.7405
MDL Number:
MFCD11505087
IUPAC Name:
6,7-diethoxy-3,4-dihydroisoquinoline;hydrochloride
InChI:
InChI=1S/C13H17NO2.ClH/c1-3-15-12-7-10-5-6-14-9-11(10)8-13(12)16-4-2;/h7-9H,3-6H2,1-2H3;1H
InChI Key:
MOYFDJUHGADBRF-UHFFFAOYSA-N
SMILES:
CCOc1cc2C=NCCc2cc1OCC.Cl
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.103g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.742g/mol
Monoisotopic Mass:
255.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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