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85721-18-2 | 1-METHYL-3-PENTYLINDAN
CAS No: 85721-18-2 Catalog No: AG004SEM MDL No:
Product Description
Catalog Number:
AG004SEM
Chemical Name:
1-METHYL-3-PENTYLINDAN
CAS Number:
85721-18-2
Molecular Formula:
C15H22
Molecular Weight:
202.3352
IUPAC Name:
1-methyl-3-pentyl-2,3-dihydro-1H-indene
InChI:
InChI=1S/C15H22/c1-3-4-5-8-13-11-12(2)14-9-6-7-10-15(13)14/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3
InChI Key:
WYJGPGQXRYNHKF-UHFFFAOYSA-N
SMILES:
CCCCCC1CC(c2c1cccc2)C
EC Number:
288-429-1
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.172g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.341g/mol
Monoisotopic Mass:
202.172g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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