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144657-39-6 | Bicyclo[2.2.1]heptane-1-carboxylic acid, 3-oxo-
CAS No: 144657-39-6 Catalog No: AG001JYA MDL No:
Product Description
Catalog Number:
AG001JYA
Chemical Name:
Bicyclo[2.2.1]heptane-1-carboxylic acid, 3-oxo-
CAS Number:
144657-39-6
Molecular Formula:
C8H10O3
Molecular Weight:
154.1632
IUPAC Name:
3-oxobicyclo[2.2.1]heptane-1-carboxylic acid
InChI:
InChI=1S/C8H10O3/c9-6-4-8(7(10)11)2-1-5(6)3-8/h5H,1-4H2,(H,10,11)
InChI Key:
VUTINWOSSFBFSE-UHFFFAOYSA-N
SMILES:
O=C1CC2(CC1CC2)C(=O)O
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.165g/mol
Monoisotopic Mass:
154.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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