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Home > Other Heterocycles > 88183-21-5
88183-21-5 | 1-Penten-3-one, 5-(4-methoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)-
CAS No: 88183-21-5 Catalog No: AG004EVA MDL No:
Product Description
Catalog Number:
AG004EVA
Chemical Name:
1-Penten-3-one, 5-(4-methoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)-
CAS Number:
88183-21-5
Molecular Formula:
C14H16O2
Molecular Weight:
216.2756
IUPAC Name:
5-(4-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pent-1-en-3-one
InChI:
InChI=1S/C14H16O2/c1-3-12(15)6-4-10-8-11-5-7-13(16-2)9-14(10)11/h3,5,7,9-10H,1,4,6,8H2,2H3
InChI Key:
IYBRVSZTSWNRHD-UHFFFAOYSA-N
SMILES:
COc1cc2C(CCC(=O)C=C)Cc2cc1
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.28g/mol
Monoisotopic Mass:
216.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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