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116519-20-1 | 2,6-Cycloheptadien-1-one, 4,4,5,5-tetramethoxy-
CAS No: 116519-20-1 Catalog No: AG000CP2 MDL No:
Product Description
Catalog Number:
AG000CP2
Chemical Name:
2,6-Cycloheptadien-1-one, 4,4,5,5-tetramethoxy-
CAS Number:
116519-20-1
Molecular Formula:
C11H16O5
Molecular Weight:
228.2417
IUPAC Name:
4,4,5,5-tetramethoxycyclohepta-2,6-dien-1-one
InChI:
InChI=1S/C11H16O5/c1-13-10(14-2)7-5-9(12)6-8-11(10,15-3)16-4/h5-8H,1-4H3
InChI Key:
BXMZNEPQZVIKOH-UHFFFAOYSA-N
SMILES:
COC1(OC)C=CC(=O)C=CC1(OC)OC
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.244g/mol
Monoisotopic Mass:
228.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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