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19936-85-7 | Benzenemethanol, 2,3,4,5,6-pentamethyl-, 1-acetate
CAS No: 19936-85-7 Catalog No: AG002C3O MDL No:MFCD00119123
Product Description
Catalog Number:
AG002C3O
Chemical Name:
Benzenemethanol, 2,3,4,5,6-pentamethyl-, 1-acetate
CAS Number:
19936-85-7
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
MDL Number:
MFCD00119123
IUPAC Name:
acetic acid;(2,3,4,5,6-pentamethylphenyl)methanol
InChI:
InChI=1S/C12H18O.C2H4O2/c1-7-8(2)10(4)12(6-13)11(5)9(7)3;1-2(3)4/h13H,6H2,1-5H3;1H3,(H,3,4)
InChI Key:
CTMTVCAIEWGNDC-UHFFFAOYSA-N
SMILES:
CC(=O)OCc1c(C)c(C)c(c(c1C)C)C
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.327g/mol
Monoisotopic Mass:
238.157g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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