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18664-32-9 | 1,3-Dimethoxypropan-2-one
CAS No: 18664-32-9 Catalog No: AG003DK8 MDL No:MFCD00270306
Product Description
Catalog Number:
AG003DK8
Chemical Name:
1,3-Dimethoxypropan-2-one
CAS Number:
18664-32-9
Molecular Formula:
C5H10O3
Molecular Weight:
118.1311
MDL Number:
MFCD00270306
IUPAC Name:
1,3-dimethoxypropan-2-one
InChI:
InChI=1S/C5H10O3/c1-7-3-5(6)4-8-2/h3-4H2,1-2H3
InChI Key:
SZVHDRLVQJXQBT-UHFFFAOYSA-N
SMILES:
COCC(=O)COC
Properties
Complexity:
62.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.063g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
118.132g/mol
Monoisotopic Mass:
118.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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