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100641-65-4 | Bicyclo[2.2.1]hepta-2,5-diene-2-carboxylic acid, 2-naphthalenyl ester
CAS No: 100641-65-4 Catalog No: AG0002J9 MDL No:
Product Description
Catalog Number:
AG0002J9
Chemical Name:
Bicyclo[2.2.1]hepta-2,5-diene-2-carboxylic acid, 2-naphthalenyl ester
CAS Number:
100641-65-4
Molecular Formula:
C18H14O2
Molecular Weight:
262.3026
IUPAC Name:
naphthalen-2-yl bicyclo[2.2.1]hepta-2,5-diene-2-carboxylate
InChI:
InChI=1S/C18H14O2/c19-18(17-10-12-5-6-15(17)9-12)20-16-8-7-13-3-1-2-4-14(13)11-16/h1-8,10-12,15H,9H2
InChI Key:
ZIYLKLQZYIBSHC-UHFFFAOYSA-N
SMILES:
O=C(C1=CC2CC1C=C2)Oc1ccc2c(c1)cccc2
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.099g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.308g/mol
Monoisotopic Mass:
262.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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