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Home Aminos 5-[(dimethylamino)methyl]-2-furoic acid hydrate

5-[(dimethylamino)methyl]-2-furoic acid hydrate

CAS No.:
1609396-50-0
Catalog Number:
AG00J171
Molecular Formula:
C8H13NO4
Molecular Weight:
187.1931
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$448
- +
5g
95%
In Stock USA
United States
$1462
- +
Product Description
Catalog Number:
AG00J171
Chemical Name:
5-[(dimethylamino)methyl]-2-furoic acid hydrate
CAS Number:
1609396-50-0
Molecular Formula:
C8H13NO4
Molecular Weight:
187.1931
MDL Number:
MFCD07699571
IUPAC Name:
5-[(dimethylamino)methyl]furan-2-carboxylic acid;hydrate
InChI:
InChI=1S/C8H11NO3.H2O/c1-9(2)5-6-3-4-7(12-6)8(10)11;/h3-4H,5H2,1-2H3,(H,10,11);1H2
InChI Key:
KEKCFBACMRKSMX-UHFFFAOYSA-N
SMILES:
CN(Cc1ccc(o1)C(=O)O)C.O
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.084g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
187.195g/mol
Monoisotopic Mass:
187.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties