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823805-56-7 | 2,3,4,5-TETRAHYDRO-2,2,9-TRIMETHYL-6H-1-BENZOXOCIN-6-ONE
CAS No: 823805-56-7 Catalog No: AG004Y10 MDL No:
Product Description
Catalog Number:
AG004Y10
Chemical Name:
2,3,4,5-TETRAHYDRO-2,2,9-TRIMETHYL-6H-1-BENZOXOCIN-6-ONE
CAS Number:
823805-56-7
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
2,2,9-trimethyl-4,5-dihydro-3H-1-benzoxocin-6-one
InChI:
InChI=1S/C14H18O2/c1-10-6-7-11-12(15)5-4-8-14(2,3)16-13(11)9-10/h6-7,9H,4-5,8H2,1-3H3
InChI Key:
CNQFHGSATVMIDR-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)OC(C)(C)CCCC2=O
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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