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Home Other Building Blocks 6,11-Dihydro-11-oxo-dibenz[b,e]oxepin-2-acetic acid

6,11-Dihydro-11-oxo-dibenz[b,e]oxepin-2-acetic acid

CAS No.:
55453-87-7
Catalog Number:
AG003A98
Molecular Formula:
C16H12O4
Molecular Weight:
268.2641
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$19
- +
25g
98%
In Stock USA
United States
$82
- +
100g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG003A98
Chemical Name:
6,11-Dihydro-11-oxo-dibenz[b,e]oxepin-2-acetic acid
CAS Number:
55453-87-7
Molecular Formula:
C16H12O4
Molecular Weight:
268.2641
MDL Number:
MFCD00242952
IUPAC Name:
2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid
InChI:
InChI=1S/C16H12O4/c17-15(18)8-10-5-6-14-13(7-10)16(19)12-4-2-1-3-11(12)9-20-14/h1-7H,8-9H2,(H,17,18)
InChI Key:
QFGMXJOBTNZHEL-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2
EC Number:
611-268-9
UNII:
2KH283Q0Z5
NSC Number:
300907
Properties
Complexity:
392  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.074g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
268.268g/mol
Monoisotopic Mass:
268.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties