Home Other Building Blocks Methyl isodehydroacetate

Methyl isodehydroacetate

CAS No.:
41264-06-6
Catalog Number:
AG00BXP1
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
99%
1 week
United States
$212
- +
1g
99%
1 week
United States
$385
- +
5g
99%
1 week
United States
$1420
- +
Product Description
Catalog Number:
AG00BXP1
Chemical Name:
Methyl isodehydroacetate
CAS Number:
41264-06-6
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
MDL Number:
MFCD00006642
IUPAC Name:
methyl 2,4-dimethyl-6-oxopyran-3-carboxylate
InChI:
InChI=1S/C9H10O4/c1-5-4-7(10)13-6(2)8(5)9(11)12-3/h4H,1-3H3
InChI Key:
VLYBFLKIZIACQH-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)cc(=O)oc1C
EC Number:
255-283-5
Properties
Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.058g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.175g/mol
Monoisotopic Mass:
182.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties