Home Carboxys methyl 4,4-dimethyl-3-oxooxolane-2-carboxylate

methyl 4,4-dimethyl-3-oxooxolane-2-carboxylate

CAS No.:
77133-05-2
Catalog Number:
AG01AM4J
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
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Product Description
Catalog Number:
AG01AM4J
Chemical Name:
methyl 4,4-dimethyl-3-oxooxolane-2-carboxylate
CAS Number:
77133-05-2
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
MDL Number:
MFCD24705907
IUPAC Name:
methyl 4,4-dimethyl-3-oxooxolane-2-carboxylate
InChI:
InChI=1S/C8H12O4/c1-8(2)4-12-5(6(8)9)7(10)11-3/h5H,4H2,1-3H3
InChI Key:
GFQBPXVIQPPCKO-UHFFFAOYSA-N
SMILES:
COC(=O)C1OCC(C1=O)(C)C
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.18g/mol
Monoisotopic Mass:
172.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties