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139159-69-6 | 2,5-Furandiol, 2,5-dihydro-, 2,5-dipropanoate
CAS No: 139159-69-6 Catalog No: AG001AF7 MDL No:
Product Description
Catalog Number:
AG001AF7
Chemical Name:
2,5-Furandiol, 2,5-dihydro-, 2,5-dipropanoate
CAS Number:
139159-69-6
Molecular Formula:
C10H14O5
Molecular Weight:
214.2152
IUPAC Name:
2,5-dihydrofuran-2,5-diol;propanoic acid
InChI:
InChI=1S/C4H6O3.2C3H6O2/c5-3-1-2-4(6)7-3;2*1-2-3(4)5/h1-6H;2*2H2,1H3,(H,4,5)
InChI Key:
JWBLDCMXRAMNNN-UHFFFAOYSA-N
SMILES:
CCC(=O)OC1C=CC(O1)OC(=O)CC
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
250.247g/mol
Monoisotopic Mass:
250.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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