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130570-51-3 | Methanediol, 1-[4-(acetyloxy)-3,5-dimethoxyphenyl]-, 1,1-diacetate
CAS No: 130570-51-3 Catalog No: AG000UMX MDL No:
Product Description
Catalog Number:
AG000UMX
Chemical Name:
Methanediol, 1-[4-(acetyloxy)-3,5-dimethoxyphenyl]-, 1,1-diacetate
CAS Number:
130570-51-3
Molecular Formula:
C15H18O8
Molecular Weight:
326.2986
IUPAC Name:
acetic acid;[4-(dihydroxymethyl)-2,6-dimethoxyphenyl] acetate
InChI:
InChI=1S/C11H14O6.2C2H4O2/c1-6(12)17-10-8(15-2)4-7(11(13)14)5-9(10)16-3;2*1-2(3)4/h4-5,11,13-14H,1-3H3;2*1H3,(H,3,4)
InChI Key:
XMEOPNMHZNURSK-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC(=O)C)OC)C(OC(=O)C)OC(=O)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.121g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
362.331g/mol
Monoisotopic Mass:
362.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
160A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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