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87973-68-0 | 4H-1,3-Benzodioxin-6-ol, 2,4-dimethyl-, acetate
CAS No: 87973-68-0 Catalog No: AG004IFC MDL No:
Product Description
Catalog Number:
AG004IFC
Chemical Name:
4H-1,3-Benzodioxin-6-ol, 2,4-dimethyl-, acetate
CAS Number:
87973-68-0
Molecular Formula:
C12H16O5
Molecular Weight:
240.2524
IUPAC Name:
acetic acid;2,4-dimethyl-4H-1,3-benzodioxin-6-ol
InChI:
InChI=1S/C10H12O3.C2H4O2/c1-6-9-5-8(11)3-4-10(9)13-7(2)12-6;1-2(3)4/h3-7,11H,1-2H3;1H3,(H,3,4)
InChI Key:
GWTCPCVTEFLNPU-UHFFFAOYSA-N
SMILES:
CC1OC(C)c2c(O1)ccc(c2)O.CC(=O)O
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.255g/mol
Monoisotopic Mass:
240.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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