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Home Other Building Blocks 4-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-4-oxobutanoic acid

4-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-4-oxobutanoic acid

CAS No.:
175136-33-1
Catalog Number:
AG002091
Molecular Formula:
C13H14O5
Molecular Weight:
250.2473
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$295
- +
5g
1 week
United States
$1023
- +
10g
1 week
United States
$1964
- +
25g
1 week
United States
$3900
- +
Product Description
Catalog Number:
AG002091
Chemical Name:
4-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-4-oxobutanoic acid
CAS Number:
175136-33-1
Molecular Formula:
C13H14O5
Molecular Weight:
250.2473
MDL Number:
MFCD00218805
IUPAC Name:
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid
InChI:
InChI=1S/C13H14O5/c14-10(3-5-13(15)16)9-2-4-11-12(8-9)18-7-1-6-17-11/h2,4,8H,1,3,5-7H2,(H,15,16)
InChI Key:
RQYNFIARXFWNDM-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)c1ccc2c(c1)OCCCO2
Properties
Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.084g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
250.25g/mol
Monoisotopic Mass:
250.084g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
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