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Home > Other Heterocycles > 6757-62-6
6757-62-6 | 2-methoxy-2-(4-methoxyphenyl)-1-oxaspiro[2.4]heptane
CAS No: 6757-62-6 Catalog No: AG006E38 MDL No:
Product Description
Catalog Number:
AG006E38
Chemical Name:
2-methoxy-2-(4-methoxyphenyl)-1-oxaspiro[2.4]heptane
CAS Number:
6757-62-6
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
IUPAC Name:
2-methoxy-2-(4-methoxyphenyl)-1-oxaspiro[2.4]heptane
InChI:
InChI=1S/C14H18O3/c1-15-12-7-5-11(6-8-12)14(16-2)13(17-14)9-3-4-10-13/h5-8H,3-4,9-10H2,1-2H3
InChI Key:
IIRHONHNHRQBSY-UHFFFAOYSA-N
SMILES:
COC1(OC21CCCC2)c1ccc(cc1)OC
NSC Number:
70145
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.295g/mol
Monoisotopic Mass:
234.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
31A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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