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1888-89-7 | Hexitol, 1,2:5,6-dianhydro-3,4-dideoxy-
CAS No: 1888-89-7 Catalog No: AG002HC6 MDL No:MFCD01723447
Product Description
Catalog Number:
AG002HC6
Chemical Name:
Hexitol, 1,2:5,6-dianhydro-3,4-dideoxy-
CAS Number:
1888-89-7
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
MDL Number:
MFCD01723447
IUPAC Name:
2-[2-(oxiran-2-yl)ethyl]oxirane
InChI:
InChI=1S/C6H10O2/c1(5-3-7-5)2-6-4-8-6/h5-6H,1-4H2
InChI Key:
HTJFSXYVAKSPNF-UHFFFAOYSA-N
SMILES:
C(C1OC1)CC1OC1
EC Number:
217-564-0
NSC Number:
47548
Properties
Complexity:
80.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.068g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.144g/mol
Monoisotopic Mass:
114.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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