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Home > Quinoline > 1267980-37-9
1267980-37-9 | Isoquinoline, 1,2,3,4-tetrahydro-7-methoxy-4,4-dimethyl-
CAS No: 1267980-37-9 Catalog No: AG000T92 MDL No:MFCD19348176
Product Description
Catalog Number:
AG000T92
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-7-methoxy-4,4-dimethyl-
CAS Number:
1267980-37-9
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
MDL Number:
MFCD19348176
IUPAC Name:
7-methoxy-4,4-dimethyl-2,3-dihydro-1H-isoquinoline
InChI:
InChI=1S/C12H17NO/c1-12(2)8-13-7-9-6-10(14-3)4-5-11(9)12/h4-6,13H,7-8H2,1-3H3
InChI Key:
UZZATCHNQIJRHQ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)CNCC2(C)C
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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