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88847-69-2 | 2H-Pyran-3,4-diol, tetrahydro-, diacetate
CAS No: 88847-69-2 Catalog No: AG004BP5 MDL No:
Product Description
Catalog Number:
AG004BP5
Chemical Name:
2H-Pyran-3,4-diol, tetrahydro-, diacetate
CAS Number:
88847-69-2
Molecular Formula:
C9H18O7
Molecular Weight:
238.2350
IUPAC Name:
acetic acid;oxane-3,4-diol
InChI:
InChI=1S/C5H10O3.2C2H4O2/c6-4-1-2-8-3-5(4)7;2*1-2(3)4/h4-7H,1-3H2;2*1H3,(H,3,4)
InChI Key:
DMIMAVPZAPUSMQ-UHFFFAOYSA-N
SMILES:
OC1COCCC1O.CC(=O)O.CC(=O)O
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
238.236g/mol
Monoisotopic Mass:
238.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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