Home Carboxys 2-Oxabicyclo[4.1.0]heptane-7-carboxylic acid, ethyl ester

2-Oxabicyclo[4.1.0]heptane-7-carboxylic acid, ethyl ester

CAS No.:
72229-08-4
Catalog Number:
AG005V15
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
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Product Description
Catalog Number:
AG005V15
Chemical Name:
2-Oxabicyclo[4.1.0]heptane-7-carboxylic acid, ethyl ester
CAS Number:
72229-08-4
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
MDL Number:
MFCD00033452
IUPAC Name:
ethyl 2-oxabicyclo[4.1.0]heptane-7-carboxylate
InChI:
InChI=1S/C9H14O3/c1-2-11-9(10)7-6-4-3-5-12-8(6)7/h6-8H,2-5H2,1H3
InChI Key:
VWTGCGVIXDXFTO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1C2C1CCCO2
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.094g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties