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62245-15-2 | 6-methoxy-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
CAS No: 62245-15-2 Catalog No: AG01DDXH MDL No:MFCD19348178
Product Description
Catalog Number:
AG01DDXH
Chemical Name:
6-methoxy-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
CAS Number:
62245-15-2
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
MDL Number:
MFCD19348178
IUPAC Name:
6-methoxy-4,4-dimethyl-2,3-dihydro-1H-isoquinoline
InChI:
InChI=1S/C12H17NO/c1-12(2)8-13-7-9-4-5-10(14-3)6-11(9)12/h4-6,13H,7-8H2,1-3H3
InChI Key:
FFSDUEDAAQFMHC-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(C)(C)CNC2
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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