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88308-82-1 | Ethanone, 1-[5-(1,3-dioxan-2-yl)-2-furanyl]-
CAS No: 88308-82-1 Catalog No: AG00486C MDL No:
Product Description
Catalog Number:
AG00486C
Chemical Name:
Ethanone, 1-[5-(1,3-dioxan-2-yl)-2-furanyl]-
CAS Number:
88308-82-1
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
IUPAC Name:
1-[5-(1,3-dioxan-2-yl)furan-2-yl]ethanone
InChI:
InChI=1S/C10H12O4/c1-7(11)8-3-4-9(14-8)10-12-5-2-6-13-10/h3-4,10H,2,5-6H2,1H3
InChI Key:
BKABFOAXNKEUQZ-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(o1)C1OCCCO1
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.202g/mol
Monoisotopic Mass:
196.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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