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88224-92-4 | Pentaleno[1,2-b]oxirene-3-pentanoic acid, octahydro-
CAS No: 88224-92-4 Catalog No: AG004BFI MDL No:
Product Description
Catalog Number:
AG004BFI
Chemical Name:
Pentaleno[1,2-b]oxirene-3-pentanoic acid, octahydro-
CAS Number:
88224-92-4
Molecular Formula:
C13H20O3
Molecular Weight:
224.2961
IUPAC Name:
5-(3-oxatricyclo[4.3.0.02,4]nonan-8-yl)pentanoic acid
InChI:
InChI=1S/C13H20O3/c14-12(15)4-2-1-3-8-5-9-7-11-13(16-11)10(9)6-8/h8-11,13H,1-7H2,(H,14,15)
InChI Key:
HWKANFAUVUZNLA-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCC1CC2C(C1)C1C(C2)O1
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.141g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.3g/mol
Monoisotopic Mass:
224.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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