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151004-92-1 | 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, (1S)-
CAS No: 151004-92-1 Catalog No: AG001N0B MDL No:MFCD03426333
Product Description
Catalog Number:
AG001N0B
Chemical Name:
1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, (1S)-
CAS Number:
151004-92-1
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD03426333
IUPAC Name:
(1S)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
InChI:
InChI=1S/C10H11NO2/c12-10(13)9-8-4-2-1-3-7(8)5-6-11-9/h1-4,9,11H,5-6H2,(H,12,13)/t9-/m0/s1
InChI Key:
OXFGRWIKQDSSLY-VIFPVBQESA-N
SMILES:
OC(=O)[C@H]1NCCc2c1cccc2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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