Home Carboxys 1-benzoxepine-4-carboxylic acid

1-benzoxepine-4-carboxylic acid

CAS No.:
923169-40-8
Catalog Number:
AG00GVUG
Molecular Formula:
C11H8O3
Molecular Weight:
188.1794
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$150
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Product Description
Catalog Number:
AG00GVUG
Chemical Name:
1-benzoxepine-4-carboxylic acid
CAS Number:
923169-40-8
Molecular Formula:
C11H8O3
Molecular Weight:
188.1794
MDL Number:
MFCD08541457
IUPAC Name:
1-benzoxepine-4-carboxylic acid
InChI:
InChI=1S/C11H8O3/c12-11(13)9-5-6-14-10-4-2-1-3-8(10)7-9/h1-7H,(H,12,13)
InChI Key:
YUXCMLDLILCXJV-UHFFFAOYSA-N
SMILES:
OC(=O)C1=Cc2ccccc2OC=C1
Properties
Complexity:
291  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.047g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.182g/mol
Monoisotopic Mass:
188.047g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties