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86977-33-5 | Bicyclo[2.2.0]hex-2-ene-2-carboxylicacid, ethyl ester
CAS No: 86977-33-5 Catalog No: AG004KTF MDL No:
Product Description
Catalog Number:
AG004KTF
Chemical Name:
Bicyclo[2.2.0]hex-2-ene-2-carboxylicacid, ethyl ester
CAS Number:
86977-33-5
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
IUPAC Name:
ethyl bicyclo[2.2.0]hex-2-ene-2-carboxylate
InChI:
InChI=1S/C9H12O2/c1-2-11-9(10)8-5-6-3-4-7(6)8/h5-7H,2-4H2,1H3
InChI Key:
GQXSLPBGAPHJTI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=CC2C1CC2
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.193g/mol
Monoisotopic Mass:
152.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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