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103030-70-2 | 5-METHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
CAS No: 103030-70-2 Catalog No: AG008ZFV MDL No:MFCD08544280
Product Description
Catalog Number:
AG008ZFV
Chemical Name:
5-METHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
CAS Number:
103030-70-2
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
MDL Number:
MFCD08544280
IUPAC Name:
5-methoxy-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C10H13NO/c1-12-10-4-2-3-8-7-11-6-5-9(8)10/h2-4,11H,5-7H2,1H3
InChI Key:
MCJYXDLWQYGCIQ-UHFFFAOYSA-N
SMILES:
COc1cccc2c1CCNC2
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.22g/mol
Monoisotopic Mass:
163.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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