Home Other Building Blocks 3-ethylpent-2-enoic acid

3-ethylpent-2-enoic acid

CAS No.:
79930-59-9
Catalog Number:
AG019ZP6
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
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Product Description
Catalog Number:
AG019ZP6
Chemical Name:
3-ethylpent-2-enoic acid
CAS Number:
79930-59-9
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
MDL Number:
MFCD11172807
IUPAC Name:
3-ethylpent-2-enoic acid
InChI:
InChI=1S/C7H12O2/c1-3-6(4-2)5-7(8)9/h5H,3-4H2,1-2H3,(H,8,9)
InChI Key:
LKHHEMHSIKGIBO-UHFFFAOYSA-N
SMILES:
CCC(=CC(=O)O)CC
Properties
Complexity:
119  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties