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1257397-58-2 | Benzeneacetic acid, α-(2,2-dimethylpropyl)-3-hydroxy-, methyl ester
CAS No: 1257397-58-2 Catalog No: AG000OLE MDL No:
Product Description
Catalog Number:
AG000OLE
Chemical Name:
Benzeneacetic acid, α-(2,2-dimethylpropyl)-3-hydroxy-, methyl ester
CAS Number:
1257397-58-2
Molecular Formula:
C14H20O3
Molecular Weight:
236.3068
IUPAC Name:
methyl 2-(3-hydroxyphenyl)-4,4-dimethylpentanoate
InChI:
InChI=1S/C14H20O3/c1-14(2,3)9-12(13(16)17-4)10-6-5-7-11(15)8-10/h5-8,12,15H,9H2,1-4H3
InChI Key:
IZAPWPOPGUXKRX-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1cccc(c1)O)CC(C)(C)C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.141g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.311g/mol
Monoisotopic Mass:
236.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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