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114812-03-2 | Naphthalene, 1-(3-methyl-2-buten-1-yl)-
CAS No: 114812-03-2 Catalog No: AG000FAD MDL No:
Product Description
Catalog Number:
AG000FAD
Chemical Name:
Naphthalene, 1-(3-methyl-2-buten-1-yl)-
CAS Number:
114812-03-2
Molecular Formula:
C15H16
Molecular Weight:
196.2875
IUPAC Name:
1-(3-methylbut-2-enyl)naphthalene
InChI:
InChI=1S/C15H16/c1-12(2)10-11-14-8-5-7-13-6-3-4-9-15(13)14/h3-10H,11H2,1-2H3
InChI Key:
LBMGCPYXVKUENF-UHFFFAOYSA-N
SMILES:
CC(=CCc1cccc2c1cccc2)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.125g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.293g/mol
Monoisotopic Mass:
196.125g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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