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74723-68-5 | 2H-Pyran, 2-[(7-chloro-2-heptynyl)oxy]tetrahydro-
CAS No: 74723-68-5 Catalog No: AG005HXY MDL No:
Product Description
Catalog Number:
AG005HXY
Chemical Name:
2H-Pyran, 2-[(7-chloro-2-heptynyl)oxy]tetrahydro-
CAS Number:
74723-68-5
Molecular Formula:
C12H19ClO2
Molecular Weight:
230.7311
IUPAC Name:
2-(7-chlorohept-2-ynoxy)oxane
InChI:
InChI=1S/C12H19ClO2/c13-9-5-2-1-3-6-10-14-12-8-4-7-11-15-12/h12H,1-2,4-5,7-11H2
InChI Key:
XQTGTWSCLVXUAK-UHFFFAOYSA-N
SMILES:
ClCCCCC#CCOC1CCCCO1
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.107g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.732g/mol
Monoisotopic Mass:
230.107g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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