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890098-44-9 | 2-ACETOXY-4'-BUTYLBENZOPHENONE
CAS No: 890098-44-9 Catalog No: AG0044RM MDL No:
Product Description
Catalog Number:
AG0044RM
Chemical Name:
2-ACETOXY-4'-BUTYLBENZOPHENONE
CAS Number:
890098-44-9
Molecular Formula:
C19H20O3
Molecular Weight:
296.3603
IUPAC Name:
[2-(4-butylbenzoyl)phenyl] acetate
InChI:
InChI=1S/C19H20O3/c1-3-4-7-15-10-12-16(13-11-15)19(21)17-8-5-6-9-18(17)22-14(2)20/h5-6,8-13H,3-4,7H2,1-2H3
InChI Key:
IQBWFQOIRQIONO-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)C(=O)c1ccccc1OC(=O)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.141g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.366g/mol
Monoisotopic Mass:
296.141g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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