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116550-23-3 | 9-Hexadecenoic acid, oxo-, (Z)- (9CI)
CAS No: 116550-23-3 Catalog No: AG000CSF MDL No:
Product Description
Catalog Number:
AG000CSF
Chemical Name:
9-Hexadecenoic acid, oxo-, (Z)- (9CI)
CAS Number:
116550-23-3
Molecular Formula:
C16H28O3
Molecular Weight:
268.3917
IUPAC Name:
2-oxohexadec-9-enoic acid
InChI:
InChI=1S/C16H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h7-8H,2-6,9-14H2,1H3,(H,18,19)
InChI Key:
QBABVXHFZFNSHF-UHFFFAOYSA-N
SMILES:
CCCCCC/C=C\CCCCCCC(=O)C(=O)O
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.204g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.397g/mol
Monoisotopic Mass:
268.204g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.5
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