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7667-50-7 | ethyl 1-(acetylamino)-2-(1,3-benzodioxol-5-yl)-4-oxocyclohex-2-ene-1-carboxylate
CAS No: 7667-50-7 Catalog No: AG005J4T MDL No:
Product Description
Catalog Number:
AG005J4T
Chemical Name:
ethyl 1-(acetylamino)-2-(1,3-benzodioxol-5-yl)-4-oxocyclohex-2-ene-1-carboxylate
CAS Number:
7667-50-7
Molecular Formula:
C18H19NO6
Molecular Weight:
345.3466
IUPAC Name:
ethyl 1-acetamido-2-(1,3-benzodioxol-5-yl)-4-oxocyclohex-2-ene-1-carboxylate
InChI:
InChI=1S/C18H19NO6/c1-3-23-17(22)18(19-11(2)20)7-6-13(21)9-14(18)12-4-5-15-16(8-12)25-10-24-15/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,19,20)
InChI Key:
VVUIZYMXLWKHBG-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CCC(=O)C=C1c1ccc2c(c1)OCO2)NC(=O)C
NSC Number:
118639
Properties
Complexity:
600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.121g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.351g/mol
Monoisotopic Mass:
345.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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