Home Other Building Blocks 2-benzylpent-4-enoic acid

2-benzylpent-4-enoic acid

CAS No.:
6540-96-1
Catalog Number:
AG01BIX7
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
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Product Description
Catalog Number:
AG01BIX7
Chemical Name:
2-benzylpent-4-enoic acid
CAS Number:
6540-96-1
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
MDL Number:
MFCD20638232
IUPAC Name:
2-benzylpent-4-enoic acid
InChI:
InChI=1S/C12H14O2/c1-2-6-11(12(13)14)9-10-7-4-3-5-8-10/h2-5,7-8,11H,1,6,9H2,(H,13,14)
InChI Key:
VDJGCNARLOCVIY-UHFFFAOYSA-N
SMILES:
C=CCC(C(=O)O)Cc1ccccc1
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties