Home Other Building Blocks 5,6-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione

5,6-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione

CAS No.:
5438-24-4
Catalog Number:
AG00DCLE
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$420
- +
1g
1 week
United States
$1184
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Product Description
Catalog Number:
AG00DCLE
Chemical Name:
5,6-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
CAS Number:
5438-24-4
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD00177933
IUPAC Name:
5,6-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
InChI:
InChI=1S/C10H12O3/c1-5-3-7-8(4-6(5)2)10(12)13-9(7)11/h7-8H,3-4H2,1-2H3
InChI Key:
UJYUDTPLHOZSGT-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C2C1CC(=C(C2)C)C
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties