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Home > Other Heterocycles > 89149-31-5
89149-31-5 | Bicyclo[3.2.0]heptan-6-one, 3-hydroxy-2-(3-hydroxy-1-octynyl)-
CAS No: 89149-31-5 Catalog No: AG0075RX MDL No:
Product Description
Catalog Number:
AG0075RX
Chemical Name:
Bicyclo[3.2.0]heptan-6-one, 3-hydroxy-2-(3-hydroxy-1-octynyl)-
CAS Number:
89149-31-5
Molecular Formula:
C15H22O3
Molecular Weight:
250.3334
IUPAC Name:
3-hydroxy-2-(3-hydroxyoct-1-ynyl)bicyclo[3.2.0]heptan-6-one
InChI:
InChI=1S/C15H22O3/c1-2-3-4-5-10(16)6-7-11-12-8-15(18)13(12)9-14(11)17/h10-14,16-17H,2-5,8-9H2,1H3
InChI Key:
UHNDOLWJAMQIIL-UHFFFAOYSA-N
SMILES:
CCCCCC(C#CC1C(O)CC2C1CC2=O)O
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.338g/mol
Monoisotopic Mass:
250.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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