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28645-51-4 | Oxacycloheptadec-10-en-2-one
CAS No: 28645-51-4 Catalog No: AG002VYQ MDL No:
Product Description
Catalog Number:
AG002VYQ
Chemical Name:
Oxacycloheptadec-10-en-2-one
CAS Number:
28645-51-4
Molecular Formula:
C16H28O2
Molecular Weight:
252.3923
IUPAC Name:
(10Z)-1-oxacycloheptadec-10-en-2-one
InChI:
InChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1,3H,2,4-15H2/b3-1-
InChI Key:
QILMAYXCYBTEDM-IWQZZHSRSA-N
SMILES:
O=C1CCCCCCCC=CCCCCCCO1
EC Number:
249-120-7
UNII:
9UY96U8Y3J
NSC Number:
31697
FEMA Number:
4145
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
252.209g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.398g/mol
Monoisotopic Mass:
252.209g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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