Home Other Building Blocks 2,4-dimethylpent-4-enoic acid

2,4-dimethylpent-4-enoic acid

CAS No.:
56639-98-6
Catalog Number:
AG01A63E
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
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Product Description
Catalog Number:
AG01A63E
Chemical Name:
2,4-dimethylpent-4-enoic acid
CAS Number:
56639-98-6
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
MDL Number:
MFCD19228771
IUPAC Name:
2,4-dimethylpent-4-enoic acid
InChI:
InChI=1S/C7H12O2/c1-5(2)4-6(3)7(8)9/h6H,1,4H2,2-3H3,(H,8,9)
InChI Key:
WQBDUHHOENCMGP-UHFFFAOYSA-N
SMILES:
CC(=C)CC(C(=O)O)C
Properties
Complexity:
127  
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:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties