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119137-76-7 | Bicyclo[4.1.0]heptane-1-acetic acid, 2-oxo-, ethyl ester
CAS No: 119137-76-7 Catalog No: AG000I8K MDL No:
Product Description
Catalog Number:
AG000I8K
Chemical Name:
Bicyclo[4.1.0]heptane-1-acetic acid, 2-oxo-, ethyl ester
CAS Number:
119137-76-7
Molecular Formula:
C11H16O3
Molecular Weight:
196.2429
IUPAC Name:
ethyl 2-(2-oxo-1-bicyclo[4.1.0]heptanyl)acetate
InChI:
InChI=1S/C11H16O3/c1-2-14-10(13)7-11-6-8(11)4-3-5-9(11)12/h8H,2-7H2,1H3
InChI Key:
CONROKZEFXQQKS-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC12CC2CCCC1=O
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.246g/mol
Monoisotopic Mass:
196.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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