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1257397-47-9 | Benzeneacetic acid, α-ethyl-3-hydroxy-, methyl ester
CAS No: 1257397-47-9 Catalog No: AG000OLJ MDL No:
Product Description
Catalog Number:
AG000OLJ
Chemical Name:
Benzeneacetic acid, α-ethyl-3-hydroxy-, methyl ester
CAS Number:
1257397-47-9
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
IUPAC Name:
methyl 2-(3-hydroxyphenyl)butanoate
InChI:
InChI=1S/C11H14O3/c1-3-10(11(13)14-2)8-5-4-6-9(12)7-8/h4-7,10,12H,3H2,1-2H3
InChI Key:
NHIPVILCTAZSMN-UHFFFAOYSA-N
SMILES:
CCC(c1cccc(c1)O)C(=O)OC
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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