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88010-63-3 | Cyclodeca[b]furan-4(7H)-one, 8,11-dihydro-3,6,10-trimethyl-, (Z,Z)-
CAS No: 88010-63-3 Catalog No: AG004H0M MDL No:
Product Description
Catalog Number:
AG004H0M
Chemical Name:
Cyclodeca[b]furan-4(7H)-one, 8,11-dihydro-3,6,10-trimethyl-, (Z,Z)-
CAS Number:
88010-63-3
Molecular Formula:
C15H18O2
Molecular Weight:
230.3022
IUPAC Name:
3,6,10-trimethyl-8,11-dihydro-7H-cyclodeca[b]furan-4-one
InChI:
InChI=1S/C15H18O2/c1-10-5-4-6-11(2)8-14-15(13(16)7-10)12(3)9-17-14/h6-7,9H,4-5,8H2,1-3H3
InChI Key:
XVOHELPNOXGRBQ-UHFFFAOYSA-N
SMILES:
CC1=CC(=O)c2c(CC(=CCC1)C)occ2C
Properties
Complexity:
365
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:
0
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.9
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