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2294-88-4 | 1H-Indene, 3-butyl-
CAS No: 2294-88-4 Catalog No: AG002LLC MDL No:
Product Description
Catalog Number:
AG002LLC
Chemical Name:
1H-Indene, 3-butyl-
CAS Number:
2294-88-4
Molecular Formula:
C13H16
Molecular Weight:
172.2661
IUPAC Name:
3-butyl-1H-indene
InChI:
InChI=1S/C13H16/c1-2-3-6-11-9-10-12-7-4-5-8-13(11)12/h4-5,7-9H,2-3,6,10H2,1H3
InChI Key:
XSXQCNPTMDUCFF-UHFFFAOYSA-N
SMILES:
CCCCC1=CCc2c1cccc2
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.125g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.271g/mol
Monoisotopic Mass:
172.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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