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

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

CAS No.:
16666-45-8
Catalog Number:
AG001WW5
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
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Product Description
Catalog Number:
AG001WW5
Chemical Name:
2-Pentenoic acid, 4,4-dimethyl-, (2E)-
CAS Number:
16666-45-8
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
MDL Number:
MFCD00956093
IUPAC Name:
4,4-dimethylpent-2-enoic acid
InChI:
InChI=1S/C7H12O2/c1-7(2,3)5-4-6(8)9/h4-5H,1-3H3,(H,8,9)
InChI Key:
RPVPMVHPERYZNF-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/C(C)(C)C
Properties
Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.9  
Properties