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1255098-65-7 | 2-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-, phenylmethyl ester, hydrochloride (1:1)
CAS No: 1255098-65-7 Catalog No: AG000NRY MDL No:
Product Description
Catalog Number:
AG000NRY
Chemical Name:
2-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-, phenylmethyl ester, hydrochloride (1:1)
CAS Number:
1255098-65-7
Molecular Formula:
C17H18ClNO2
Molecular Weight:
303.7833
IUPAC Name:
benzyl 1,2,3,4-tetrahydroquinoline-2-carboxylate;hydrochloride
InChI:
InChI=1S/C17H17NO2.ClH/c19-17(20-12-13-6-2-1-3-7-13)16-11-10-14-8-4-5-9-15(14)18-16;/h1-9,16,18H,10-12H2;1H
InChI Key:
ZGBNJTJAARZLBH-UHFFFAOYSA-N
SMILES:
O=C(C1CCc2c(N1)cccc2)OCc1ccccc1.Cl
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.103g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
303.786g/mol
Monoisotopic Mass:
303.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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