Home Other Building Blocks 3,3-Dimethylacrylic acid

3,3-Dimethylacrylic acid

CAS No.:
541-47-9
Catalog Number:
AG0033HM
Molecular Formula:
C5H8O2
Molecular Weight:
100.1158
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
95%
In Stock USA
United States
$8
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Product Description
Catalog Number:
AG0033HM
Chemical Name:
3,3-Dimethylacrylic acid
CAS Number:
541-47-9
Molecular Formula:
C5H8O2
Molecular Weight:
100.1158
MDL Number:
MFCD00004366
IUPAC Name:
3-methylbut-2-enoic acid
InChI:
InChI=1S/C5H8O2/c1-4(2)3-5(6)7/h3H,1-2H3,(H,6,7)
InChI Key:
YYPNJNDODFVZLE-UHFFFAOYSA-N
SMILES:
CC(=CC(=O)O)C
EC Number:
208-782-7
UNII:
EKV8I38F9I
FEMA Number:
3187
Properties
Complexity:
98.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.052g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
100.117g/mol
Monoisotopic Mass:
100.052g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
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