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141891-43-2 | Carbonic acid, 4-(1,2-dihydroxyethyl)-2-methoxyphenyl methyl ester
CAS No: 141891-43-2 Catalog No: AG001HCH MDL No:
Product Description
Catalog Number:
AG001HCH
Chemical Name:
Carbonic acid, 4-(1,2-dihydroxyethyl)-2-methoxyphenyl methyl ester
CAS Number:
141891-43-2
Molecular Formula:
C11H14O6
Molecular Weight:
242.2253
IUPAC Name:
[4-(1,2-dihydroxyethyl)-2-methoxyphenyl] methyl carbonate
InChI:
InChI=1S/C11H14O6/c1-15-10-5-7(8(13)6-12)3-4-9(10)17-11(14)16-2/h3-5,8,12-13H,6H2,1-2H3
InChI Key:
JOBWJMFKJSQDGW-UHFFFAOYSA-N
SMILES:
OCC(c1ccc(c(c1)OC)OC(=O)OC)O
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.227g/mol
Monoisotopic Mass:
242.079g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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