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89789-38-8 | Spiro[5.5]undecane-1-acetic acid, 1-hydroxy-
CAS No: 89789-38-8 Catalog No: AG003YH5 MDL No:
Product Description
Catalog Number:
AG003YH5
Chemical Name:
Spiro[5.5]undecane-1-acetic acid, 1-hydroxy-
CAS Number:
89789-38-8
Molecular Formula:
C13H22O3
Molecular Weight:
226.3120
IUPAC Name:
2-(5-hydroxyspiro[5.5]undecan-5-yl)acetic acid
InChI:
InChI=1S/C13H22O3/c14-11(15)10-13(16)9-5-4-8-12(13)6-2-1-3-7-12/h16H,1-10H2,(H,14,15)
InChI Key:
MFSANQVDRSODKF-UHFFFAOYSA-N
SMILES:
OC(=O)CC1(O)CCCCC21CCCCC2
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.157g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.316g/mol
Monoisotopic Mass:
226.157g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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