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26408-72-0 | Butanoic acid, 3-oxo-, 4-hydroxyphenyl ester
CAS No: 26408-72-0 Catalog No: AG002T3E MDL No:
Product Description
Catalog Number:
AG002T3E
Chemical Name:
Butanoic acid, 3-oxo-, 4-hydroxyphenyl ester
CAS Number:
26408-72-0
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
IUPAC Name:
(4-hydroxyphenyl) 3-oxobutanoate
InChI:
InChI=1S/C10H10O4/c1-7(11)6-10(13)14-9-4-2-8(12)3-5-9/h2-5,12H,6H2,1H3
InChI Key:
SRPYDDUAFWZUND-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccc(cc1)O)CC(=O)C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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