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101707-92-0 | Oxacyclododec-7-ene-5,9-diyn-2-one, (7Z)-
CAS No: 101707-92-0 Catalog No: AG00059R MDL No:
Product Description
Catalog Number:
AG00059R
Chemical Name:
Oxacyclododec-7-ene-5,9-diyn-2-one, (7Z)-
CAS Number:
101707-92-0
Molecular Formula:
C11H10O2
Molecular Weight:
174.1959
IUPAC Name:
1-oxacyclododec-7-en-5,9-diyn-2-one
InChI:
InChI=1S/C11H10O2/c12-11-9-7-5-3-1-2-4-6-8-10-13-11/h1-2H,7-10H2
InChI Key:
BQJKGFILHZKGPI-UHFFFAOYSA-N
SMILES:
O=C1CCC#C/C=C\C#CCCO1
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.199g/mol
Monoisotopic Mass:
174.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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