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1225228-88-5 | Propanedioic acid, 2-methyl-2-(1,2,3,4-tetrahydro-6-methoxy-1-oxo-2-naphthalenyl)-, 1,3-diethyl ester
CAS No: 1225228-88-5 Catalog No: AG0017DA MDL No:MFCD23135329
Product Description
Catalog Number:
AG0017DA
Chemical Name:
Propanedioic acid, 2-methyl-2-(1,2,3,4-tetrahydro-6-methoxy-1-oxo-2-naphthalenyl)-, 1,3-diethyl ester
CAS Number:
1225228-88-5
Molecular Formula:
C19H24O6
Molecular Weight:
348.3903
MDL Number:
MFCD23135329
IUPAC Name:
diethyl 2-(6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-2-methylpropanedioate
InChI:
InChI=1S/C19H24O6/c1-5-24-17(21)19(3,18(22)25-6-2)15-10-7-12-11-13(23-4)8-9-14(12)16(15)20/h8-9,11,15H,5-7,10H2,1-4H3
InChI Key:
JEBMTTOXCCYUTJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C1CCc2c(C1=O)ccc(c2)OC)(C(=O)OCC)C
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.157g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.395g/mol
Monoisotopic Mass:
348.157g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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