sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys 5-(3-Hydroxy-3-methylbut-1-yn-1-yl)furan-2-carboxylic acid hydrate

5-(3-Hydroxy-3-methylbut-1-yn-1-yl)furan-2-carboxylic acid hydrate

CAS No.:
1609400-90-9
Catalog Number:
AG00J13D
Molecular Formula:
C10H12O5
Molecular Weight:
212.1993
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$64
- +
5g
95%
In Stock USA
United States
$125
- +
10g
95%
In Stock USA
United States
$187
- +
Product Description
Catalog Number:
AG00J13D
Chemical Name:
5-(3-Hydroxy-3-methylbut-1-yn-1-yl)furan-2-carboxylic acid hydrate
CAS Number:
1609400-90-9
Molecular Formula:
C10H12O5
Molecular Weight:
212.1993
MDL Number:
MFCD13193775
IUPAC Name:
5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carboxylic acid;hydrate
InChI:
InChI=1S/C10H10O4.H2O/c1-10(2,13)6-5-7-3-4-8(14-7)9(11)12;/h3-4,13H,1-2H3,(H,11,12);1H2
InChI Key:
XSDJYYNFWWYIIX-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(o1)C#CC(O)(C)C.O
Properties
Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.068g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
212.201g/mol
Monoisotopic Mass:
212.068g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
71.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties