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14208-48-1 | 3-Oxabicyclo[3.1.0]hexane-1-carboxylic acid, 2-oxo-, ethyl ester
CAS No: 14208-48-1 Catalog No: AG001HQ8 MDL No:MFCD24525482
Product Description
Catalog Number:
AG001HQ8
Chemical Name:
3-Oxabicyclo[3.1.0]hexane-1-carboxylic acid, 2-oxo-, ethyl ester
CAS Number:
14208-48-1
Molecular Formula:
C8H10O4
Molecular Weight:
170.1626
MDL Number:
MFCD24525482
IUPAC Name:
ethyl 2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate
InChI:
InChI=1S/C8H10O4/c1-2-11-6(9)8-3-5(8)4-12-7(8)10/h5H,2-4H2,1H3
InChI Key:
FZNZMKYHAARKOO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C12CC1COC2=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:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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