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88544-90-5 | Phenol, 5-(1-methoxy-1-methylethyl)-2-methyl-, acetate
CAS No: 88544-90-5 Catalog No: AG004CQL MDL No:
Product Description
Catalog Number:
AG004CQL
Chemical Name:
Phenol, 5-(1-methoxy-1-methylethyl)-2-methyl-, acetate
CAS Number:
88544-90-5
Molecular Formula:
C13H20O4
Molecular Weight:
240.2955
IUPAC Name:
acetic acid;5-(2-methoxypropan-2-yl)-2-methylphenol
InChI:
InChI=1S/C11H16O2.C2H4O2/c1-8-5-6-9(7-10(8)12)11(2,3)13-4;1-2(3)4/h5-7,12H,1-4H3;1H3,(H,3,4)
InChI Key:
QFSVINOPXYKZTP-UHFFFAOYSA-N
SMILES:
CC(=O)O.COC(c1ccc(c(c1)O)C)(C)C
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.299g/mol
Monoisotopic Mass:
240.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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