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890098-91-6 | 2-ACETOXY-4'-METHYLBENZOPHENONE
CAS No: 890098-91-6 Catalog No: AG00444L MDL No:
Product Description
Catalog Number:
AG00444L
Chemical Name:
2-ACETOXY-4'-METHYLBENZOPHENONE
CAS Number:
890098-91-6
Molecular Formula:
C16H14O3
Molecular Weight:
254.2806
IUPAC Name:
[2-(4-methylbenzoyl)phenyl] acetate
InChI:
InChI=1S/C16H14O3/c1-11-7-9-13(10-8-11)16(18)14-5-3-4-6-15(14)19-12(2)17/h3-10H,1-2H3
InChI Key:
QZPNCKDYVPFCRY-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccccc1C(=O)c1ccc(cc1)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.094g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.285g/mol
Monoisotopic Mass:
254.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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