sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 4-Ethynylbenzoic acid

4-Ethynylbenzoic acid

CAS No.:
10602-00-3
Catalog Number:
AG00360N
Molecular Formula:
C9H6O2
Molecular Weight:
146.1427
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$25
- +
5g
97%
In Stock USA
United States
$100
- +
10g
97%
In Stock USA
United States
$169
- +
25g
97%
In Stock USA
United States
$332
- +
100g
97%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG00360N
Chemical Name:
4-Ethynylbenzoic acid
CAS Number:
10602-00-3
Molecular Formula:
C9H6O2
Molecular Weight:
146.1427
MDL Number:
MFCD00168819
IUPAC Name:
4-ethynylbenzoic acid
InChI:
InChI=1S/C9H6O2/c1-2-7-3-5-8(6-4-7)9(10)11/h1,3-6H,(H,10,11)
InChI Key:
SJXHLZCPDZPBPW-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cc1)C(=O)O
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.037g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
146.145g/mol
Monoisotopic Mass:
146.037g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Helicity induction and memory of the macromolecular helicity in a polyacetylene bearing a biphenyl pendant. Chemistry, an Asian journal 20080307
Synthesis and characterization of polyacetylene with side-chain thiophene functionality. International journal of molecular sciences 20080301
Mechanism of helix induction on a stereoregular Poly((4-carboxyphenyl)acetylene) with chiral amines and memory of the macromolecular helicity assisted by interaction with achiral amines. Journal of the American Chemical Society 20040407
Chiral stimuli-responsive gels: helicity induction in poly(phenylacetylene) gels bearing a carboxyl group with chiral amines. Journal of the American Chemical Society 20030305
Properties