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31537-71-0 | 2-acetyl-1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline
CAS No: 31537-71-0 Catalog No: AG00C9ZM MDL No:
Product Description
Catalog Number:
AG00C9ZM
Chemical Name:
2-acetyl-1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline
CAS Number:
31537-71-0
IUPAC Name:
1-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
InChI:
InChI=1S/C22H27NO5/c1-14(24)23-9-8-16-12-21(27-4)22(28-5)13-17(16)18(23)10-15-6-7-19(25-2)20(11-15)26-3/h6-7,11-13,18H,8-10H2,1-5H3
InChI Key:
JIDKUPJJVWNDTF-UHFFFAOYSA-N
EC Number:
250-686-2
NSC Number:
331263
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.189g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
385.46g/mol
Monoisotopic Mass:
385.189g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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