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146830-07-1 | 1,2-Propanediol, 1-(2,4,5-trimethoxyphenyl)-, 1,2-diacetate
CAS No: 146830-07-1 Catalog No: AG001ED4 MDL No:
Product Description
Catalog Number:
AG001ED4
Chemical Name:
1,2-Propanediol, 1-(2,4,5-trimethoxyphenyl)-, 1,2-diacetate
CAS Number:
146830-07-1
Molecular Formula:
C16H22O7
Molecular Weight:
326.3417
IUPAC Name:
acetic acid;1-(2,4,5-trimethoxyphenyl)propane-1,2-diol
InChI:
InChI=1S/C12H18O5.2C2H4O2/c1-7(13)12(14)8-5-10(16-3)11(17-4)6-9(8)15-2;2*1-2(3)4/h5-7,12-14H,1-4H3;2*1H3,(H,3,4)
InChI Key:
FAHKBXQYLBQSBM-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(cc1C(C(OC(=O)C)C)OC(=O)C)OC
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.158g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
362.375g/mol
Monoisotopic Mass:
362.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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