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955287-46-4 | (6,7-DIETHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-METHANOL
CAS No: 955287-46-4 Catalog No: AG00H928 MDL No:
Product Description
Catalog Number:
AG00H928
Chemical Name:
(6,7-DIETHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-METHANOL
CAS Number:
955287-46-4
Molecular Formula:
C14H21NO3
Molecular Weight:
251.3214
IUPAC Name:
(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
InChI:
InChI=1S/C14H21NO3/c1-3-17-13-7-10-5-6-15-12(9-16)11(10)8-14(13)18-4-2/h7-8,12,15-16H,3-6,9H2,1-2H3
InChI Key:
CBQAWCGRYSDGHO-UHFFFAOYSA-N
SMILES:
CCOc1cc2C(CO)NCCc2cc1OCC
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.326g/mol
Monoisotopic Mass:
251.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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