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154970-45-3 | Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 1,1-dimethylethyl ester
CAS No: 154970-45-3 Catalog No: AG001NIX MDL No:MFCD18083704
Product Description
Catalog Number:
AG001NIX
Chemical Name:
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 1,1-dimethylethyl ester
CAS Number:
154970-45-3
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
MDL Number:
MFCD18083704
IUPAC Name:
tert-butyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
InChI:
InChI=1S/C12H18O2/c1-12(2,3)14-11(13)10-7-8-4-5-9(10)6-8/h4-5,8-10H,6-7H2,1-3H3
InChI Key:
BZBMBZJUNPMEBD-UHFFFAOYSA-N
SMILES:
O=C(C1CC2CC1C=C2)OC(C)(C)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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