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877861-62-6 | 5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDINE-2-CARBOXYLATE
CAS No: 877861-62-6 Catalog No: AG00361S MDL No:MFCD03094737
Product Description
Catalog Number:
AG00361S
Chemical Name:
5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDINE-2-CARBOXYLATE
CAS Number:
877861-62-6
Molecular Formula:
C10H7NO2
Molecular Weight:
173.1681
MDL Number:
MFCD03094737
IUPAC Name:
methyl 1,2,3,4-tetrahydroisoquinoline-6-carboxylate;hydrochloride
InChI:
InChI=1S/C11H13NO2.ClH/c1-14-11(13)9-2-3-10-7-12-5-4-8(10)6-9;/h2-3,6,12H,4-5,7H2,1H3;1H
InChI Key:
YQROFCVHUWWCQO-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)ccnc2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.071g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.688g/mol
Monoisotopic Mass:
227.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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