Home Carboxys Methyl 3-methyl-4-oxotetrahydro-2H-pyran-3-carboxylate

Methyl 3-methyl-4-oxotetrahydro-2H-pyran-3-carboxylate

CAS No.:
910332-89-7
Catalog Number:
AG00IGEM
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
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Product Description
Catalog Number:
AG00IGEM
Chemical Name:
Methyl 3-methyl-4-oxotetrahydro-2H-pyran-3-carboxylate
CAS Number:
910332-89-7
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
MDL Number:
MFCD24711691
IUPAC Name:
methyl 3-methyl-4-oxooxane-3-carboxylate
InChI:
InChI=1S/C8H12O4/c1-8(7(10)11-2)5-12-4-3-6(8)9/h3-5H2,1-2H3
InChI Key:
AJZICXLGVPFUJT-UHFFFAOYSA-N
SMILES:
COC(=O)C1(C)COCCC1=O
Properties
Complexity:
211  
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
Properties