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819871-49-3 | 3H-Benz[e]indene, 2-(1-cyclohexen-1-yl)-
CAS No: 819871-49-3 Catalog No: AG0054EI MDL No:
Product Description
Catalog Number:
AG0054EI
Chemical Name:
3H-Benz[e]indene, 2-(1-cyclohexen-1-yl)-
CAS Number:
819871-49-3
Molecular Formula:
C19H18
Molecular Weight:
246.3462
IUPAC Name:
2-(cyclohexen-1-yl)-3H-cyclopenta[a]naphthalene
InChI:
InChI=1S/C19H18/c1-2-6-14(7-3-1)17-12-16-11-10-15-8-4-5-9-18(15)19(16)13-17/h4-6,8-11,13H,1-3,7,12H2
InChI Key:
XYDZDIKNFCPWHY-UHFFFAOYSA-N
SMILES:
C1CCC(=CC1)C1=Cc2c(C1)ccc1c2cccc1
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.141g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.353g/mol
Monoisotopic Mass:
246.141g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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