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146400-14-8 | 3-Oxabicyclo[3.1.0]hexane-1-carboxylic acid, 6-methyl-2-oxo-
CAS No: 146400-14-8 Catalog No: AG001DYQ MDL No:
Product Description
Catalog Number:
AG001DYQ
Chemical Name:
3-Oxabicyclo[3.1.0]hexane-1-carboxylic acid, 6-methyl-2-oxo-
CAS Number:
146400-14-8
Molecular Formula:
C7H8O4
Molecular Weight:
156.1360
IUPAC Name:
6-methyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylic acid
InChI:
InChI=1S/C7H8O4/c1-3-4-2-11-6(10)7(3,4)5(8)9/h3-4H,2H2,1H3,(H,8,9)
InChI Key:
ROHGIGWSIUKFCD-UHFFFAOYSA-N
SMILES:
OC(=O)C12C(=O)OCC1C2C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.042g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.137g/mol
Monoisotopic Mass:
156.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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