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230297-45-7 | Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, tetrahydro-2-furanyl ester
CAS No: 230297-45-7 Catalog No: AG002LXN MDL No:MFCD24667750
Product Description
Catalog Number:
AG002LXN
Chemical Name:
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, tetrahydro-2-furanyl ester
CAS Number:
230297-45-7
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD24667750
IUPAC Name:
oxolan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate
InChI:
InChI=1S/C12H16O3/c13-12(15-11-2-1-5-14-11)10-7-8-3-4-9(10)6-8/h3-4,8-11H,1-2,5-7H2
InChI Key:
RVVWLPDCSZPLER-UHFFFAOYSA-N
SMILES:
O=C(C1CC2CC1C=C2)OC1CCCO1
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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