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Home > Other Heterocycles > 253800-23-6
253800-23-6 | 1,5-DIOXASPIRO[5.5]UNDECAN-9-OL, 9-[2-(HYDROXYMETHYL)PHENYL]-3,3-DIMETHYL-
CAS No: 253800-23-6 Catalog No: AG006V3B MDL No:
Product Description
Catalog Number:
AG006V3B
Chemical Name:
1,5-DIOXASPIRO[5.5]UNDECAN-9-OL, 9-[2-(HYDROXYMETHYL)PHENYL]-3,3-DIMETHYL-
CAS Number:
253800-23-6
Molecular Formula:
C18H26O4
Molecular Weight:
306.3966
IUPAC Name:
9-[2-(hydroxymethyl)phenyl]-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-ol
InChI:
InChI=1S/C18H26O4/c1-16(2)12-21-18(22-13-16)9-7-17(20,8-10-18)15-6-4-3-5-14(15)11-19/h3-6,19-20H,7-13H2,1-2H3
InChI Key:
LSZCXAIEBTUQAT-UHFFFAOYSA-N
SMILES:
OCc1ccccc1C1(O)CCC2(CC1)OCC(CO2)(C)C
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.183g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.402g/mol
Monoisotopic Mass:
306.183g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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