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116052-59-6 | Nonanal, 6-methyl-8-oxo-, (R)- (9CI)
CAS No: 116052-59-6 Catalog No: AG000BHB MDL No:
Product Description
Catalog Number:
AG000BHB
Chemical Name:
Nonanal, 6-methyl-8-oxo-, (R)- (9CI)
CAS Number:
116052-59-6
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
IUPAC Name:
6-methyl-8-oxononanal
InChI:
InChI=1S/C10H18O2/c1-9(8-10(2)12)6-4-3-5-7-11/h7,9H,3-6,8H2,1-2H3
InChI Key:
AHYPYGPCNSABFJ-UHFFFAOYSA-N
SMILES:
O=CCCCC[C@H](CC(=O)C)C
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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