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149490-75-5 | Benzeneacetic acid, 3-hydroxy-α,α-dimethyl-, methyl ester
CAS No: 149490-75-5 Catalog No: AG001LRG MDL No:MFCD24713922
Product Description
Catalog Number:
AG001LRG
Chemical Name:
Benzeneacetic acid, 3-hydroxy-α,α-dimethyl-, methyl ester
CAS Number:
149490-75-5
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD24713922
IUPAC Name:
methyl 2-(3-hydroxyphenyl)-2-methylpropanoate
InChI:
InChI=1S/C11H14O3/c1-11(2,10(13)14-3)8-5-4-6-9(12)7-8/h4-7,12H,1-3H3
InChI Key:
QMLRGHYMXKKBHD-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1cccc(c1)O)(C)C
Properties
Complexity:
211
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:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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