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

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

CAS No.:
3132-21-6
Catalog Number:
AG01C2A2
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
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Product Description
Catalog Number:
AG01C2A2
Chemical Name:
methyl 2,2-dimethyl-4-oxooxolane-3-carboxylate
CAS Number:
3132-21-6
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
MDL Number:
MFCD24698870
IUPAC Name:
methyl 2,2-dimethyl-4-oxooxolane-3-carboxylate
InChI:
InChI=1S/C8H12O4/c1-8(2)6(7(10)11-3)5(9)4-12-8/h6H,4H2,1-3H3
InChI Key:
ULQFVFRZYKWDME-UHFFFAOYSA-N
SMILES:
COC(=O)C1C(=O)COC1(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:
0.4  
Properties