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101915-49-5 | Bicyclo[2.2.1]hept-2-ene-7-carboxylic acid, 5-oxo-
CAS No: 101915-49-5 Catalog No: AG0005YJ MDL No:
Product Description
Catalog Number:
AG0005YJ
Chemical Name:
Bicyclo[2.2.1]hept-2-ene-7-carboxylic acid, 5-oxo-
CAS Number:
101915-49-5
Molecular Formula:
C8H8O3
Molecular Weight:
152.1473
IUPAC Name:
5-oxobicyclo[2.2.1]hept-2-ene-7-carboxylic acid
InChI:
InChI=1S/C8H8O3/c9-6-3-4-1-2-5(6)7(4)8(10)11/h1-2,4-5,7H,3H2,(H,10,11)
InChI Key:
PHELOSPSZYFIAK-UHFFFAOYSA-N
SMILES:
OC(=O)C1C2C=CC1C(=O)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:
-0.1
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