Home Other Building Blocks 2-Pentenoic acid, 2,4,4-trimethyl-, (E)-

2-Pentenoic acid, 2,4,4-trimethyl-, (E)-

CAS No.:
60065-21-6
Catalog Number:
AG01AF31
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
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Product Description
Catalog Number:
AG01AF31
Chemical Name:
2-Pentenoic acid, 2,4,4-trimethyl-, (E)-
CAS Number:
60065-21-6
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
IUPAC Name:
(E)-2,4,4-trimethylpent-2-enoic acid
InChI:
InChI=1S/C8H14O2/c1-6(7(9)10)5-8(2,3)4/h5H,1-4H3,(H,9,10)/b6-5+
InChI Key:
WLWUSHPRMWJNAR-AATRIKPKSA-N
SMILES:
CC(=CC(C)(C)C)C(=O)O
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
142.099g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
142.198g/mol
Monoisotopic Mass:
142.099g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties