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101073-05-6 | 1,2-Propanediol, 3-[4-(acetyloxy)-3-methoxyphenyl]-, 1,2-diacetate
CAS No: 101073-05-6 Catalog No: AG0003OC MDL No:
Product Description
Catalog Number:
AG0003OC
Chemical Name:
1,2-Propanediol, 3-[4-(acetyloxy)-3-methoxyphenyl]-, 1,2-diacetate
CAS Number:
101073-05-6
Molecular Formula:
C16H20O7
Molecular Weight:
324.3258
IUPAC Name:
acetic acid;[4-(2,3-dihydroxypropyl)-2-methoxyphenyl] acetate
InChI:
InChI=1S/C12H16O5.2C2H4O2/c1-8(14)17-11-4-3-9(5-10(15)7-13)6-12(11)16-2;2*1-2(3)4/h3-4,6,10,13,15H,5,7H2,1-2H3;2*1H3,(H,3,4)
InChI Key:
BBSSAHZBUOYITQ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC(=O)C)CC(OC(=O)C)COC(=O)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.142g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
360.359g/mol
Monoisotopic Mass:
360.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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