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Home > Other Heterocycles > 88640-76-0
88640-76-0 | 3-Hexanone, 6-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-4-methyl-
CAS No: 88640-76-0 Catalog No: AG0049E5 MDL No:
Product Description
Catalog Number:
AG0049E5
Chemical Name:
3-Hexanone, 6-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-4-methyl-
CAS Number:
88640-76-0
Molecular Formula:
C16H28O
Molecular Weight:
236.3929
IUPAC Name:
6-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylhexan-3-one
InChI:
InChI=1S/C16H28O/c1-5-15(17)11(2)6-9-14-12-7-8-13(10-12)16(14,3)4/h11-14H,5-10H2,1-4H3
InChI Key:
MKBCHTCPFOPIRP-UHFFFAOYSA-N
SMILES:
CCC(=O)C(CCC1C2CCC(C1(C)C)C2)C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.214g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.399g/mol
Monoisotopic Mass:
236.214g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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