Home Carboxys 2-oxobicyclo[2.2.1]heptane-1-carboxylic acid

2-oxobicyclo[2.2.1]heptane-1-carboxylic acid

CAS No.:
2534-70-5
Catalog Number:
AG01C5IB
Molecular Formula:
C8H10O3
Molecular Weight:
154.1632
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Product Description
Catalog Number:
AG01C5IB
Chemical Name:
2-oxobicyclo[2.2.1]heptane-1-carboxylic acid
CAS Number:
2534-70-5
Molecular Formula:
C8H10O3
Molecular Weight:
154.1632
MDL Number:
MFCD11502459
IUPAC Name:
2-oxobicyclo[2.2.1]heptane-1-carboxylic acid
InChI:
InChI=1S/C8H10O3/c9-6-3-5-1-2-8(6,4-5)7(10)11/h5H,1-4H2,(H,10,11)
InChI Key:
ZKMOOBXRINLMKZ-UHFFFAOYSA-N
SMILES:
OC(=O)C12CCC(C1)CC2=O
NSC Number:
670148
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:
1.1  
Properties