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88096-21-3 | 1H-Inden-1-one, 2-butyl-2,3-dihydro-2-methyl-3-methylene-
CAS No: 88096-21-3 Catalog No: AG004GU4 MDL No:
Product Description
Catalog Number:
AG004GU4
Chemical Name:
1H-Inden-1-one, 2-butyl-2,3-dihydro-2-methyl-3-methylene-
CAS Number:
88096-21-3
Molecular Formula:
C15H18O
Molecular Weight:
214.3028
IUPAC Name:
2-butyl-2-methyl-3-methylideneinden-1-one
InChI:
InChI=1S/C15H18O/c1-4-5-10-15(3)11(2)12-8-6-7-9-13(12)14(15)16/h6-9H,2,4-5,10H2,1,3H3
InChI Key:
YEORAHOGWMDTAY-UHFFFAOYSA-N
SMILES:
CCCCC1(C)C(=C)c2c(C1=O)cccc2
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.308g/mol
Monoisotopic Mass:
214.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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