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168298-49-5 | Propanal, 3-(benzoyloxy)-2-methyl-
CAS No: 168298-49-5 Catalog No: AG001XZQ MDL No:
Product Description
Catalog Number:
AG001XZQ
Chemical Name:
Propanal, 3-(benzoyloxy)-2-methyl-
CAS Number:
168298-49-5
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
IUPAC Name:
(2-methyl-3-oxopropyl) benzoate
InChI:
InChI=1S/C11H12O3/c1-9(7-12)8-14-11(13)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3
InChI Key:
VYLBDMJHHXPDKJ-UHFFFAOYSA-N
SMILES:
O=CC(COC(=O)c1ccccc1)C
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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