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Home > Other Heterocycles > 80336-18-1
80336-18-1 | Bicyclo[2.2.1]hept-2-ene, 5-[(phenylmethoxy)methylene]-
CAS No: 80336-18-1 Catalog No: AG005BHX MDL No:
Product Description
Catalog Number:
AG005BHX
Chemical Name:
Bicyclo[2.2.1]hept-2-ene, 5-[(phenylmethoxy)methylene]-
CAS Number:
80336-18-1
Molecular Formula:
C15H16O
Molecular Weight:
212.2869
IUPAC Name:
5-(phenylmethoxymethylidene)bicyclo[2.2.1]hept-2-ene
InChI:
InChI=1S/C15H16O/c1-2-4-12(5-3-1)10-16-11-15-9-13-6-7-14(15)8-13/h1-7,11,13-14H,8-10H2
InChI Key:
IWXUQTOMSXELKQ-UHFFFAOYSA-N
SMILES:
O(Cc1ccccc1)C=C1CC2CC1C=C2
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.12g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.292g/mol
Monoisotopic Mass:
212.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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