Home Carboxys Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 7-oxo-

Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 7-oxo-

CAS No.:
125091-66-9
Catalog Number:
AG000N4L
Molecular Formula:
C8H8O3
Molecular Weight:
152.1473
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Product Description
Catalog Number:
AG000N4L
Chemical Name:
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 7-oxo-
CAS Number:
125091-66-9
Molecular Formula:
C8H8O3
Molecular Weight:
152.1473
MDL Number:
MFCD18826780
IUPAC Name:
7-oxobicyclo[2.2.1]hept-5-ene-2-carboxylic acid
InChI:
InChI=1S/C8H8O3/c9-7-4-1-2-5(7)6(3-4)8(10)11/h1-2,4-6H,3H2,(H,10,11)
InChI Key:
PDOOJMWVHLSMOZ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC2C(=O)C1C=C2
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.047g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
152.149g/mol
Monoisotopic Mass:
152.047g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties