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80037-06-5 | 1-Tetradecen-3-one, 1-chloro-, (E)-
CAS No: 80037-06-5 Catalog No: AG0055G9 MDL No:
Product Description
Catalog Number:
AG0055G9
Chemical Name:
1-Tetradecen-3-one, 1-chloro-, (E)-
CAS Number:
80037-06-5
Molecular Formula:
C14H25ClO
Molecular Weight:
244.8007
IUPAC Name:
1-chlorotetradec-1-en-3-one
InChI:
InChI=1S/C14H25ClO/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15/h12-13H,2-11H2,1H3
InChI Key:
SWTXNKYYCBEQLG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)/C=C/Cl
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.159g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.803g/mol
Monoisotopic Mass:
244.159g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6
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