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Home Carboxys 4-Oxo-4,5,6,7-tetrahydrobenzo[b]furan-3-carboxylic acid

4-Oxo-4,5,6,7-tetrahydrobenzo[b]furan-3-carboxylic acid

CAS No.:
56671-28-4
Catalog Number:
AG00E9UC
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$350
- +
10g
98%
In Stock USA
United States
$519
- +
25g
98%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG00E9UC
Chemical Name:
4-Oxo-4,5,6,7-tetrahydrobenzo[b]furan-3-carboxylic acid
CAS Number:
56671-28-4
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
MDL Number:
MFCD00052170
IUPAC Name:
4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid
InChI:
InChI=1S/C9H8O4/c10-6-2-1-3-7-8(6)5(4-13-7)9(11)12/h4H,1-3H2,(H,11,12)
InChI Key:
FABBWECRHZNMDQ-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1c(co2)C(=O)O
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.042g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.159g/mol
Monoisotopic Mass:
180.042g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties