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70241-06-4 | 6-Methoxy-1-methyl-3,4-dihydroisoquinoline
CAS No: 70241-06-4 Catalog No: AG005KG5 MDL No:MFCD13179581
Product Description
Catalog Number:
AG005KG5
Chemical Name:
6-Methoxy-1-methyl-3,4-dihydroisoquinoline
CAS Number:
70241-06-4
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD13179581
IUPAC Name:
6-methoxy-1-methyl-3,4-dihydroisoquinoline
InChI:
InChI=1S/C11H13NO/c1-8-11-4-3-10(13-2)7-9(11)5-6-12-8/h3-4,7H,5-6H2,1-2H3
InChI Key:
YRRBATAVUCSTRH-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)CCN=C2C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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