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890100-36-4 | 3-ACETOXY-2',3'-DIMETHOXYBENZOPHENONE
CAS No: 890100-36-4 Catalog No: AG0043KO MDL No:
Product Description
Catalog Number:
AG0043KO
Chemical Name:
3-ACETOXY-2',3'-DIMETHOXYBENZOPHENONE
CAS Number:
890100-36-4
Molecular Formula:
C17H16O5
Molecular Weight:
300.3059
IUPAC Name:
[3-(2,3-dimethoxybenzoyl)phenyl] acetate
InChI:
InChI=1S/C17H16O5/c1-11(18)22-13-7-4-6-12(10-13)16(19)14-8-5-9-15(20-2)17(14)21-3/h4-10H,1-3H3
InChI Key:
BFMSQOWOAUPEBG-UHFFFAOYSA-N
SMILES:
COc1c(OC)cccc1C(=O)c1cccc(c1)OC(=O)C
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.31g/mol
Monoisotopic Mass:
300.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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