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287194-31-4 | Benzamide, 2-(acetyloxy)-N-(6,6-dimethoxy-3-oxo-1,4-cyclohexadien-1-yl)-
CAS No: 287194-31-4 Catalog No: AG002W98 MDL No:
Product Description
Catalog Number:
AG002W98
Chemical Name:
Benzamide, 2-(acetyloxy)-N-(6,6-dimethoxy-3-oxo-1,4-cyclohexadien-1-yl)-
CAS Number:
287194-31-4
Molecular Formula:
C17H17NO6
Molecular Weight:
331.3200
IUPAC Name:
[2-[(6-methoxy-3-oxocyclohexa-1,4-dien-1-yl)carbamoyl]phenyl] acetate
InChI:
InChI=1S/C16H15NO5/c1-10(18)22-14-6-4-3-5-12(14)16(20)17-13-9-11(19)7-8-15(13)21-2/h3-9,15H,1-2H3,(H,17,20)
InChI Key:
AQKFZJVXVHRXNI-UHFFFAOYSA-N
SMILES:
COC1(OC)C=CC(=O)C=C1NC(=O)c1ccccc1OC(=O)C
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.095g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.298g/mol
Monoisotopic Mass:
301.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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