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14086-10-3 | 1,2-Ethanediol, 1-(2-furanyl)-, 1,2-dibenzoate, (1R)-
CAS No: 14086-10-3 Catalog No: AG001CWU MDL No:
Product Description
Catalog Number:
AG001CWU
Chemical Name:
1,2-Ethanediol, 1-(2-furanyl)-, 1,2-dibenzoate, (1R)-
CAS Number:
14086-10-3
Molecular Formula:
C20H16O5
Molecular Weight:
336.3380
IUPAC Name:
benzoic acid;(1R)-1-(furan-2-yl)ethane-1,2-diol
InChI:
InChI=1S/2C7H6O2.C6H8O3/c2*8-7(9)6-4-2-1-3-5-6;7-4-5(8)6-2-1-3-9-6/h2*1-5H,(H,8,9);1-3,5,7-8H,4H2/t;;5-/m..1/s1
InChI Key:
OIMYKCITPZJVGL-XHYJPTDKSA-N
SMILES:
O=C(c1ccccc1)OC[C@H](c1ccco1)OC(=O)c1ccccc1
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
372.121g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
372.373g/mol
Monoisotopic Mass:
372.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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