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890099-85-1 | 4-ACETOXY-4'-PROPOXYBENZOPHENONE
CAS No: 890099-85-1 Catalog No: AG0043KY MDL No:
Product Description
Catalog Number:
AG0043KY
Chemical Name:
4-ACETOXY-4'-PROPOXYBENZOPHENONE
CAS Number:
890099-85-1
Molecular Formula:
C18H18O4
Molecular Weight:
298.3331
IUPAC Name:
[4-(4-propoxybenzoyl)phenyl] acetate
InChI:
InChI=1S/C18H18O4/c1-3-12-21-16-8-4-14(5-9-16)18(20)15-6-10-17(11-7-15)22-13(2)19/h4-11H,3,12H2,1-2H3
InChI Key:
QGRAOSQANLZXGU-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1)C(=O)c1ccc(cc1)OC(=O)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.338g/mol
Monoisotopic Mass:
298.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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