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19082-49-6 | Phenol, 2,4,6-trimethyl-, 1-acetate
CAS No: 19082-49-6 Catalog No: AG002EUW MDL No:MFCD00623649
Product Description
Catalog Number:
AG002EUW
Chemical Name:
Phenol, 2,4,6-trimethyl-, 1-acetate
CAS Number:
19082-49-6
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD00623649
IUPAC Name:
acetic acid;2,4,6-trimethylphenol
InChI:
InChI=1S/C9H12O.C2H4O2/c1-6-4-7(2)9(10)8(3)5-6;1-2(3)4/h4-5,10H,1-3H3;1H3,(H,3,4)
InChI Key:
UQWGYFXOPOJLOQ-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1c(C)cc(cc1C)C
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.246g/mol
Monoisotopic Mass:
196.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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