Home Carboxys 4-Oxepanecarboxylicacid,7-oxo-(9CI)

4-Oxepanecarboxylicacid,7-oxo-(9CI)

CAS No.:
485817-06-9
Catalog Number:
AG00E7EF
Molecular Formula:
C7H10O4
Molecular Weight:
158.1519
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00E7EF
Chemical Name:
4-Oxepanecarboxylicacid,7-oxo-(9CI)
CAS Number:
485817-06-9
Molecular Formula:
C7H10O4
Molecular Weight:
158.1519
MDL Number:
MFCD18820622
IUPAC Name:
7-oxooxepane-4-carboxylic acid
InChI:
InChI=1S/C7H10O4/c8-6-2-1-5(7(9)10)3-4-11-6/h5H,1-4H2,(H,9,10)
InChI Key:
VLHJHLUMDKXSPU-UHFFFAOYSA-N
SMILES:
O=C1OCCC(CC1)C(=O)O
Properties
Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.058g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
158.153g/mol
Monoisotopic Mass:
158.058g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties