Home Other Building Blocks Benzoic acid, 3-(2-propynyloxy)-

Benzoic acid, 3-(2-propynyloxy)-

CAS No.:
85607-73-4
Catalog Number:
AG004U4U
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$239
- +
250mg
95%
In Stock USA
United States
$433
- +
Product Description
Catalog Number:
AG004U4U
Chemical Name:
Benzoic acid, 3-(2-propynyloxy)-
CAS Number:
85607-73-4
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
MDL Number:
MFCD09259068
IUPAC Name:
3-prop-2-ynoxybenzoic acid
InChI:
InChI=1S/C10H8O3/c1-2-6-13-9-5-3-4-8(7-9)10(11)12/h1,3-5,7H,6H2,(H,11,12)
InChI Key:
HERILFFCDZRBMN-UHFFFAOYSA-N
SMILES:
C#CCOc1cccc(c1)C(=O)O
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.047g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.171g/mol
Monoisotopic Mass:
176.047g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties