Home Carboxys 3,4-Dihydro-2H-benzo[b][1,4]dioxepine-2-carboxylic acid

3,4-Dihydro-2H-benzo[b][1,4]dioxepine-2-carboxylic acid

CAS No.:
33632-74-5
Catalog Number:
AG003IHE
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$37
- +
1g
95%
1 week
United States
$91
- +
Product Description
Catalog Number:
AG003IHE
Chemical Name:
3,4-Dihydro-2H-benzo[b][1,4]dioxepine-2-carboxylic acid
CAS Number:
33632-74-5
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD09953183
IUPAC Name:
3,4-dihydro-2H-1,5-benzodioxepine-4-carboxylic acid
InChI:
InChI=1S/C10H10O4/c11-10(12)9-5-6-13-7-3-1-2-4-8(7)14-9/h1-4,9H,5-6H2,(H,11,12)
InChI Key:
BYYFEADAQZCIGM-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCOc2c(O1)cccc2
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.058g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties