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1489-92-5 | 2H,5aH-4a,9a-Epoxydibenz[b,f]oxepin-5a-ol, decahydro- (7CI,8CI,9CI)
CAS No: 1489-92-5 Catalog No: AG001LA7 MDL No:
Product Description
Catalog Number:
AG001LA7
Chemical Name:
2H,5aH-4a,9a-Epoxydibenz[b,f]oxepin-5a-ol, decahydro- (7CI,8CI,9CI)
CAS Number:
1489-92-5
Molecular Formula:
C14H22O3
Molecular Weight:
238.3227
IUPAC Name:
10,16-dioxatetracyclo[7.6.1.01,11.04,9]hexadecan-11-ol
InChI:
InChI=1S/C14H22O3/c15-14-9-4-3-7-12(14)10-6-11-5-1-2-8-13(11,16-12)17-14/h11,15H,1-10H2
InChI Key:
UMKPCRWEPQJTQJ-UHFFFAOYSA-N
SMILES:
OC12CCCCC32CCC2C(O1)(O3)CCCC2
NSC Number:
155442
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.327g/mol
Monoisotopic Mass:
238.157g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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