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824974-55-2 | Propanoic acid, 2-(4-hydroxyphenoxy)-, 2-oxo-2-phenylethyl ester
CAS No: 824974-55-2 Catalog No: AG00580X MDL No:
Product Description
Catalog Number:
AG00580X
Chemical Name:
Propanoic acid, 2-(4-hydroxyphenoxy)-, 2-oxo-2-phenylethyl ester
CAS Number:
824974-55-2
Molecular Formula:
C17H16O5
Molecular Weight:
300.3059
IUPAC Name:
phenacyl 2-(4-hydroxyphenoxy)propanoate
InChI:
InChI=1S/C17H16O5/c1-12(22-15-9-7-14(18)8-10-15)17(20)21-11-16(19)13-5-3-2-4-6-13/h2-10,12,18H,11H2,1H3
InChI Key:
MVJCHOKMVGSOHW-UHFFFAOYSA-N
SMILES:
O=C(C(Oc1ccc(cc1)O)C)OCC(=O)c1ccccc1
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.31g/mol
Monoisotopic Mass:
300.1g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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