AC1MJDCW structure

AC1MJDCW

propan-2-yl 4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate

Also Known As: Oprea1_492850|Oprea1_534892|BAS 00087238|Isopropyl 4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate|propan-2-yl 4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate|4-(4-Hydroxy-3-methoxy-phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid isopropyl ester|Isopropyl4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate|methylethyl 4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,7,8-pent ahydroquinoline-3-carboxylate|propan-2-yl 4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate

CAS: 299449-80-2
Molecular Formula C23H29NO5
Molecular Weight 399.20456 g/mol
LogP 3.9564
Topological Polar Surface Area 84.86 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 4
Exact Mass 399.20456
Monoisotopic Mass 399.20456
Heavy Atoms 29
Complexity 923.1959

Chemical Identifiers

CAS Number 299449-80-2
SMILES CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)O)OC)C(=O)OC(C)C

Product Overview

AC1MJDCW (CAS 299449-80-2), with molecular formula C23H29NO5 and molecular weight 399.20456 g/mol. IUPAC: propan-2-yl 4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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