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1218-65-1 | Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, bicyclo[2.2.1]hept-5-en-2-ylmethyl ester
CAS No: 1218-65-1 Catalog No: AG001623 MDL No:
Product Description
Catalog Number:
AG001623
Chemical Name:
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, bicyclo[2.2.1]hept-5-en-2-ylmethyl ester
CAS Number:
1218-65-1
Molecular Formula:
C16H20O2
Molecular Weight:
244.3288
IUPAC Name:
2-bicyclo[2.2.1]hept-5-enylmethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
InChI:
InChI=1S/C16H20O2/c17-16(15-8-11-2-4-13(15)6-11)18-9-14-7-10-1-3-12(14)5-10/h1-4,10-15H,5-9H2
InChI Key:
SOSZGLNDFITMMF-UHFFFAOYSA-N
SMILES:
O=C(C1CC2CC1C=C2)OCC1CC2CC1C=C2
EC Number:
214-938-5
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.146g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.334g/mol
Monoisotopic Mass:
244.146g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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