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20797-56-2 | Benzeneacetic acid, α-hydroxy-2,4,6-trimethyl-
CAS No: 20797-56-2 Catalog No: AG002JDM MDL No:MFCD00182543
Product Description
Catalog Number:
AG002JDM
Chemical Name:
Benzeneacetic acid, α-hydroxy-2,4,6-trimethyl-
CAS Number:
20797-56-2
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD00182543
IUPAC Name:
2-hydroxy-2-(2,4,6-trimethylphenyl)acetic acid
InChI:
InChI=1S/C11H14O3/c1-6-4-7(2)9(8(3)5-6)10(12)11(13)14/h4-5,10,12H,1-3H3,(H,13,14)
InChI Key:
IRQXVXUXARGLQG-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1c(C)cc(cc1C)C)O
NSC Number:
126596
Properties
Complexity:
203
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:
2
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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