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Home > Other Heterocycles > 93741-02-7
93741-02-7 | 2-Buten-1-ol, 3-(6,6-dimethyl-1,4,7-trioxaspiro[4.4]non-8-yl)-, (E)-
CAS No: 93741-02-7 Catalog No: AG006EMA MDL No:
Product Description
Catalog Number:
AG006EMA
Chemical Name:
2-Buten-1-ol, 3-(6,6-dimethyl-1,4,7-trioxaspiro[4.4]non-8-yl)-, (E)-
CAS Number:
93741-02-7
Molecular Formula:
C12H20O4
Molecular Weight:
228.2848
IUPAC Name:
3-(6,6-dimethyl-1,4,7-trioxaspiro[4.4]nonan-8-yl)but-2-en-1-ol
InChI:
InChI=1S/C12H20O4/c1-9(4-5-13)10-8-12(11(2,3)16-10)14-6-7-15-12/h4,10,13H,5-8H2,1-3H3
InChI Key:
BXELCNSPJOWOEJ-UHFFFAOYSA-N
SMILES:
OC/C=C(/C1OC(C2(C1)OCCO2)(C)C)\C
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.288g/mol
Monoisotopic Mass:
228.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
0.6
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