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850858-56-9 | Methyl isoquinoline-8-carboxylate
CAS No: 850858-56-9 Catalog No: AG004OOE MDL No:MFCD11506141
Product Description
Catalog Number:
AG004OOE
Chemical Name:
Methyl isoquinoline-8-carboxylate
CAS Number:
850858-56-9
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
MDL Number:
MFCD11506141
IUPAC Name:
methyl isoquinoline-8-carboxylate
InChI:
InChI=1S/C11H9NO2/c1-14-11(13)9-4-2-3-8-5-6-12-7-10(8)9/h2-7H,1H3
InChI Key:
QHXHWOJLSCPSKV-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1cncc2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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