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142266-75-9 | 1(2H)-Acenaphthylenone, 2a,3,4,5-tetrahydro-7,8-dimethoxy-
CAS No: 142266-75-9 Catalog No: AG001I2X MDL No:
Product Description
Catalog Number:
AG001I2X
Chemical Name:
1(2H)-Acenaphthylenone, 2a,3,4,5-tetrahydro-7,8-dimethoxy-
CAS Number:
142266-75-9
Molecular Formula:
C14H16O3
Molecular Weight:
232.2750
IUPAC Name:
7,8-dimethoxy-3,3a,4,5-tetrahydro-2H-acenaphthylen-1-one
InChI:
InChI=1S/C14H16O3/c1-16-11-7-9-5-3-4-8-6-10(15)13(12(8)9)14(11)17-2/h7-8H,3-6H2,1-2H3
InChI Key:
HLBRDURYZJYMPD-UHFFFAOYSA-N
SMILES:
COc1cc2CCCC3c2c(c1OC)C(=O)C3
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.279g/mol
Monoisotopic Mass:
232.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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