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140201-15-6 | 2-Propanone, 1-(acetyloxy)-1-[(acetyloxy)phenyl]- (9CI)
CAS No: 140201-15-6 Catalog No: AG001C51 MDL No:
Product Description
Catalog Number:
AG001C51
Chemical Name:
2-Propanone, 1-(acetyloxy)-1-[(acetyloxy)phenyl]- (9CI)
CAS Number:
140201-15-6
Molecular Formula:
C13H14O5
Molecular Weight:
250.2473
IUPAC Name:
[2-(1-acetyloxy-2-oxopropyl)phenyl] acetate
InChI:
InChI=1S/C13H14O5/c1-8(14)13(18-10(3)16)11-6-4-5-7-12(11)17-9(2)15/h4-7,13H,1-3H3
InChI Key:
VCVMXCFAIGUSAY-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccccc1C(C(=O)C)OC(=O)C
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.25g/mol
Monoisotopic Mass:
250.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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