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10144-63-5 | 2-Propanone, 1-[4-(acetyloxy)-3-methoxyphenyl]-
CAS No: 10144-63-5 Catalog No: AG0004HM MDL No:
Product Description
Catalog Number:
AG0004HM
Chemical Name:
2-Propanone, 1-[4-(acetyloxy)-3-methoxyphenyl]-
CAS Number:
10144-63-5
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
IUPAC Name:
[2-methoxy-4-(2-oxopropyl)phenyl] acetate
InChI:
InChI=1S/C12H14O4/c1-8(13)6-10-4-5-11(16-9(2)14)12(7-10)15-3/h4-5,7H,6H2,1-3H3
InChI Key:
RFLFNFRGSJAATJ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC(=O)C)CC(=O)C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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