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57621-04-2 | 2-ACETYL-6,7-DIMETHOXY-1-METHYLENE-1,2,3,4-TETRAHYDROISOQUINOLINE
CAS No: 57621-04-2 Catalog No: AG00EIAB MDL No:
Product Description
Catalog Number:
AG00EIAB
Chemical Name:
2-ACETYL-6,7-DIMETHOXY-1-METHYLENE-1,2,3,4-TETRAHYDROISOQUINOLINE
CAS Number:
57621-04-2
IUPAC Name:
1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)ethanone
InChI:
InChI=1S/C14H17NO3/c1-9-12-8-14(18-4)13(17-3)7-11(12)5-6-15(9)10(2)16/h7-8H,1,5-6H2,2-4H3
InChI Key:
JRMQVUQWPOMMAD-UHFFFAOYSA-N
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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