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113683-91-3 | Propanoic acid, 2-(4-hydroxyphenoxy)-, 1-methylpropyl ester
CAS No: 113683-91-3 Catalog No: AG0009AQ MDL No:
Product Description
Catalog Number:
AG0009AQ
Chemical Name:
Propanoic acid, 2-(4-hydroxyphenoxy)-, 1-methylpropyl ester
CAS Number:
113683-91-3
Molecular Formula:
C13H18O4
Molecular Weight:
238.2796
IUPAC Name:
butan-2-yl 2-(4-hydroxyphenoxy)propanoate
InChI:
InChI=1S/C13H18O4/c1-4-9(2)16-13(15)10(3)17-12-7-5-11(14)6-8-12/h5-10,14H,4H2,1-3H3
InChI Key:
YBTCHPUXOLKJTO-UHFFFAOYSA-N
SMILES:
CCC(OC(=O)C(Oc1ccc(cc1)O)C)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.283g/mol
Monoisotopic Mass:
238.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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