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15912-55-7 | 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, ethyl ester, (3S)-
CAS No: 15912-55-7 Catalog No: AG001QI2 MDL No:MFCD16037884
Product Description
Catalog Number:
AG001QI2
Chemical Name:
3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, ethyl ester, (3S)-
CAS Number:
15912-55-7
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD16037884
IUPAC Name:
ethyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
InChI:
InChI=1S/C12H15NO2/c1-2-15-12(14)11-7-9-5-3-4-6-10(9)8-13-11/h3-6,11,13H,2,7-8H2,1H3/t11-/m0/s1
InChI Key:
RGHMPTHWVVRXHW-NSHDSACASA-N
SMILES:
CCOC(=O)[C@H]1NCc2c(C1)cccc2
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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