Home Other Building Blocks 2-tert-butylpent-4-enoic acid

2-tert-butylpent-4-enoic acid

CAS No.:
25015-42-3
Catalog Number:
AG01A4B7
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
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Product Description
Catalog Number:
AG01A4B7
Chemical Name:
2-tert-butylpent-4-enoic acid
CAS Number:
25015-42-3
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
MDL Number:
MFCD20643657
IUPAC Name:
2-tert-butylpent-4-enoic acid
InChI:
InChI=1S/C9H16O2/c1-5-6-7(8(10)11)9(2,3)4/h5,7H,1,6H2,2-4H3,(H,10,11)
InChI Key:
ISDQHACGSZQURY-UHFFFAOYSA-N
SMILES:
C=CCC(C(C)(C)C)C(=O)O
Properties
Complexity:
153  
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:
4  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties