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124629-63-6 | 4-Decynal, 2-(benzoyloxy)-, (R)- (9CI)
CAS No: 124629-63-6 Catalog No: AG000MIB MDL No:
Product Description
Catalog Number:
AG000MIB
Chemical Name:
4-Decynal, 2-(benzoyloxy)-, (R)- (9CI)
CAS Number:
124629-63-6
Molecular Formula:
C17H20O3
Molecular Weight:
272.3389
IUPAC Name:
1-oxodec-4-yn-2-yl benzoate
InChI:
InChI=1S/C17H20O3/c1-2-3-4-5-6-10-13-16(14-18)20-17(19)15-11-8-7-9-12-15/h7-9,11-12,14,16H,2-5,13H2,1H3
InChI Key:
HTPQLNQGKLATBL-UHFFFAOYSA-N
SMILES:
CCCCCC#CC[C@@H](OC(=O)c1ccccc1)C=O
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.141g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.344g/mol
Monoisotopic Mass:
272.141g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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