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Home > Other Heterocycles > 81842-11-7
81842-11-7 | 1,4-Dioxaspiro[4.5]dec-6-ene, 8-(phenylmethyl)-
CAS No: 81842-11-7 Catalog No: AG005HTS MDL No:
Product Description
Catalog Number:
AG005HTS
Chemical Name:
1,4-Dioxaspiro[4.5]dec-6-ene, 8-(phenylmethyl)-
CAS Number:
81842-11-7
Molecular Formula:
C15H18O2
Molecular Weight:
230.3022
IUPAC Name:
8-benzyl-1,4-dioxaspiro[4.5]dec-6-ene
InChI:
InChI=1S/C15H18O2/c1-2-4-13(5-3-1)12-14-6-8-15(9-7-14)16-10-11-17-15/h1-6,8,14H,7,9-12H2
InChI Key:
BGMZWXUUQNRTQU-UHFFFAOYSA-N
SMILES:
C1COC2(O1)CCC(C=C2)Cc1ccccc1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.307g/mol
Monoisotopic Mass:
230.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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