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58653-97-7 | Methyl 2-methylglycidate
CAS No: 58653-97-7 Catalog No: AG003ROT MDL No:MFCD00198125
Product Description
Catalog Number:
AG003ROT
Chemical Name:
Methyl 2-methylglycidate
CAS Number:
58653-97-7
Molecular Formula:
C5H8O3
Molecular Weight:
116.1152
MDL Number:
MFCD00198125
IUPAC Name:
methyl 2-methyloxirane-2-carboxylate
InChI:
InChI=1S/C5H8O3/c1-5(3-8-5)4(6)7-2/h3H2,1-2H3
InChI Key:
OSYXXQUUGMLSGE-UHFFFAOYSA-N
SMILES:
COC(=O)C1(C)CO1
Properties
Complexity:
121
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:
2
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| In vitro embryotoxicity assessment with dental restorative materials. | Journal of dentistry 20050101 |
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