Home Other Building Blocks 3-phenylhex-5-ynoic acid

3-phenylhex-5-ynoic acid

CAS No.:
92898-16-3
Catalog Number:
AG01A4PC
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
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Product Description
Catalog Number:
AG01A4PC
Chemical Name:
3-phenylhex-5-ynoic acid
CAS Number:
92898-16-3
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
MDL Number:
MFCD20640343
IUPAC Name:
3-phenylhex-5-ynoic acid
InChI:
InChI=1S/C12H12O2/c1-2-6-11(9-12(13)14)10-7-4-3-5-8-10/h1,3-5,7-8,11H,6,9H2,(H,13,14)
InChI Key:
MFBKGGTURGCUAO-UHFFFAOYSA-N
SMILES:
C#CCC(c1ccccc1)CC(=O)O
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.084g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.226g/mol
Monoisotopic Mass:
188.084g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties