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

3-propylhex-2-enoic acid

CAS No.:
59117-27-0
Catalog Number:
AG01A47I
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
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Product Description
Catalog Number:
AG01A47I
Chemical Name:
3-propylhex-2-enoic acid
CAS Number:
59117-27-0
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
MDL Number:
MFCD01723183
IUPAC Name:
3-propylhex-2-enoic acid
InChI:
InChI=1S/C9H16O2/c1-3-5-8(6-4-2)7-9(10)11/h7H,3-6H2,1-2H3,(H,10,11)
InChI Key:
LMCKTTNJLDJGTQ-UHFFFAOYSA-N
SMILES:
CCCC(=CC(=O)O)CCC
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties