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84752-03-4 | 7-Oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, ethyl ester
CAS No: 84752-03-4 Catalog No: AG004YAQ MDL No:
Product Description
Catalog Number:
AG004YAQ
Chemical Name:
7-Oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, ethyl ester
CAS Number:
84752-03-4
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
IUPAC Name:
ethyl 7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylate
InChI:
InChI=1S/C9H12O3/c1-2-11-9(10)7-5-6-3-4-8(7)12-6/h3-4,6-8H,2,5H2,1H3
InChI Key:
ATUZCCJUSJYINN-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CC2OC1C=C2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.192g/mol
Monoisotopic Mass:
168.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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