Home Other Building Blocks 2,2-Dimethylbut-3-ynoic acid

2,2-Dimethylbut-3-ynoic acid

CAS No.:
56663-76-4
Catalog Number:
AG0037K1
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$163
- +
1g
95%
In Stock USA
United States
$413
- +
5g
95%
In Stock USA
United States
$1238
- +
Product Description
Catalog Number:
AG0037K1
Chemical Name:
2,2-Dimethylbut-3-ynoic acid
CAS Number:
56663-76-4
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
MDL Number:
MFCD03093337
IUPAC Name:
2,2-dimethylbut-3-ynoic acid
InChI:
InChI=1S/C6H8O2/c1-4-6(2,3)5(7)8/h1H,2-3H3,(H,7,8)
InChI Key:
WCDPCILUMOPENA-UHFFFAOYSA-N
SMILES:
C#CC(C(=O)O)(C)C
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.052g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
112.128g/mol
Monoisotopic Mass:
112.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties