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7239-97-6 | Morphinan-8,14-diol,6,7-didehydro-4,5-epoxy-3-methoxy-17-methyl-, 8-acetate, (5a,8a)- (9CI)
CAS No: 7239-97-6 Catalog No: AG005HSW MDL No:
Product Description
Catalog Number:
AG005HSW
Chemical Name:
Morphinan-8,14-diol,6,7-didehydro-4,5-epoxy-3-methoxy-17-methyl-, 8-acetate, (5a,8a)- (9CI)
CAS Number:
7239-97-6
Molecular Formula:
C18H18O6
Molecular Weight:
330.3319
IUPAC Name:
dimethyl 2,3-diphenoxybutanedioate
InChI:
InChI=1S/C18H18O6/c1-21-17(19)15(23-13-9-5-3-6-10-13)16(18(20)22-2)24-14-11-7-4-8-12-14/h3-12,15-16H,1-2H3
InChI Key:
HVPAVISZWQJDNZ-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(C(=O)OC)Oc1ccccc1)Oc1ccccc1
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.11g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.336g/mol
Monoisotopic Mass:
330.11g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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