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87831-99-0 | 5-Methyl-1,3-dioxan-2-one
CAS No: 87831-99-0 Catalog No: AG004JNI MDL No:MFCD22493473
Product Description
Catalog Number:
AG004JNI
Chemical Name:
5-Methyl-1,3-dioxan-2-one
CAS Number:
87831-99-0
Molecular Formula:
C5H8O3
Molecular Weight:
116.1152
MDL Number:
MFCD22493473
IUPAC Name:
5-methyl-1,3-dioxan-2-one
InChI:
InChI=1S/C5H8O3/c1-4-2-7-5(6)8-3-4/h4H,2-3H2,1H3
InChI Key:
FIURNUKOIGKIJB-UHFFFAOYSA-N
SMILES:
CC1COC(=O)OC1
Properties
Complexity:
89.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.047g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.116g/mol
Monoisotopic Mass:
116.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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