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Home Carboxys 3,4-Dihydro-2h-1,5-benzodioxepine-7-carboxylic acid

3,4-Dihydro-2h-1,5-benzodioxepine-7-carboxylic acid

CAS No.:
20825-89-2
Catalog Number:
AG002JLZ
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$88
- +
5g
98%
In Stock USA
United States
$282
- +
10g
98%
In Stock USA
United States
$538
- +
25g
98%
In Stock USA
United States
$1075
- +
Product Description
Catalog Number:
AG002JLZ
Chemical Name:
3,4-Dihydro-2h-1,5-benzodioxepine-7-carboxylic acid
CAS Number:
20825-89-2
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD00276310
IUPAC Name:
3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid
InChI:
InChI=1S/C10H10O4/c11-10(12)7-2-3-8-9(6-7)14-5-1-4-13-8/h2-3,6H,1,4-5H2,(H,11,12)
InChI Key:
MQSSBVLREFSMDP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)OCCCO2
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties