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101110-68-3 | Methanone, [2-hydroxy-4-(1-oxopropoxy)phenyl]phenyl-
CAS No: 101110-68-3 Catalog No: AG0003S9 MDL No:
Product Description
Catalog Number:
AG0003S9
Chemical Name:
Methanone, [2-hydroxy-4-(1-oxopropoxy)phenyl]phenyl-
CAS Number:
101110-68-3
Molecular Formula:
C16H14O4
Molecular Weight:
270.2800
IUPAC Name:
(4-benzoyl-3-hydroxyphenyl) propanoate
InChI:
InChI=1S/C16H14O4/c1-2-15(18)20-12-8-9-13(14(17)10-12)16(19)11-6-4-3-5-7-11/h3-10,17H,2H2,1H3
InChI Key:
XZIHKHMHTFGPAO-UHFFFAOYSA-N
SMILES:
CCC(=O)Oc1ccc(c(c1)O)C(=O)c1ccccc1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.089g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.284g/mol
Monoisotopic Mass:
270.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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