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87829-11-6 | Naphthalene, 1-(1-cyclohepten-1-yl)-
CAS No: 87829-11-6 Catalog No: AG004H7T MDL No:
Product Description
Catalog Number:
AG004H7T
Chemical Name:
Naphthalene, 1-(1-cyclohepten-1-yl)-
CAS Number:
87829-11-6
Molecular Formula:
C17H18
Molecular Weight:
222.3248
IUPAC Name:
1-(cyclohepten-1-yl)naphthalene
InChI:
InChI=1S/C17H18/c1-2-4-9-14(8-3-1)17-13-7-11-15-10-5-6-12-16(15)17/h5-8,10-13H,1-4,9H2
InChI Key:
BNTQRNCFCOJQSZ-UHFFFAOYSA-N
SMILES:
C1CCC=C(CC1)c1cccc2c1cccc2
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.141g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.331g/mol
Monoisotopic Mass:
222.141g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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