Home Other Building Blocks 2-ethylbut-2-enoic acid

2-ethylbut-2-enoic acid

CAS No.:
34452-15-8
Catalog Number:
AG01BCUZ
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
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Product Description
Catalog Number:
AG01BCUZ
Chemical Name:
2-ethylbut-2-enoic acid
CAS Number:
34452-15-8
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
MDL Number:
MFCD28012323
IUPAC Name:
2-ethylbut-2-enoic acid
InChI:
InChI=1S/C6H10O2/c1-3-5(4-2)6(7)8/h3H,4H2,1-2H3,(H,7,8)
InChI Key:
KFSQJVOLYQRELE-UHFFFAOYSA-N
SMILES:
CCC(=CC)C(=O)O
EC Number:
224-568-6
Properties
Complexity:
114  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.068g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
114.144g/mol
Monoisotopic Mass:
114.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.4  
Properties