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Home Carboxys (R)-1,4-Benzodioxane-2-carboxylic acid

(R)-1,4-Benzodioxane-2-carboxylic acid

CAS No.:
70918-53-5
Catalog Number:
AG0032ED
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$100
- +
1g
95%
In Stock USA
United States
$300
- +
5g
95%
In Stock USA
United States
$1200
- +
Product Description
Catalog Number:
AG0032ED
Chemical Name:
(R)-1,4-Benzodioxane-2-carboxylic acid
CAS Number:
70918-53-5
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
MDL Number:
MFCD00239407
IUPAC Name:
(3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
InChI:
InChI=1S/C9H8O4/c10-9(11)8-5-12-6-3-1-2-4-7(6)13-8/h1-4,8H,5H2,(H,10,11)/t8-/m1/s1
InChI Key:
HMBHAQMOBKLWRX-MRVPVSSYSA-N
SMILES:
OC(=O)[C@H]1COc2c(O1)cccc2
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
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:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties