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89540-18-1 | 6-Oxabicyclo[3.1.0]hexane-1-carboxylic acid, 2-oxo-, ethyl ester
CAS No: 89540-18-1 Catalog No: AG003YPB MDL No:
Product Description
Catalog Number:
AG003YPB
Chemical Name:
6-Oxabicyclo[3.1.0]hexane-1-carboxylic acid, 2-oxo-, ethyl ester
CAS Number:
89540-18-1
Molecular Formula:
C8H10O4
Molecular Weight:
170.1626
IUPAC Name:
ethyl 2-oxo-6-oxabicyclo[3.1.0]hexane-1-carboxylate
InChI:
InChI=1S/C8H10O4/c1-2-11-7(10)8-5(9)3-4-6(8)12-8/h6H,2-4H2,1H3
InChI Key:
HYHDHXJMRRIXKZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C12OC2CCC1=O
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.164g/mol
Monoisotopic Mass:
170.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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