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885273-79-0 | Ethyl (1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)carbamate
CAS No: 885273-79-0 Catalog No: AG0047MF MDL No:MFCD04114873
Product Description
Catalog Number:
AG0047MF
Chemical Name:
Ethyl (1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)carbamate
CAS Number:
885273-79-0
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
MDL Number:
MFCD04114873
IUPAC Name:
ethyl N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)carbamate
InChI:
InChI=1S/C12H14N2O3/c1-2-17-12(16)14-9-4-3-8-5-6-13-11(15)10(8)7-9/h3-4,7H,2,5-6H2,1H3,(H,13,15)(H,14,16)
InChI Key:
VDZLOVMXXYFJQA-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1ccc2c(c1)C(=O)NCC2
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.255g/mol
Monoisotopic Mass:
234.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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