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786690-10-6 | 1H-2-Benzopyran,3,4-dihydro-1,1,4,4,7-pentamethyl-
CAS No: 786690-10-6 Catalog No: AG005K07 MDL No:
Product Description
Catalog Number:
AG005K07
Chemical Name:
1H-2-Benzopyran,3,4-dihydro-1,1,4,4,7-pentamethyl-
CAS Number:
786690-10-6
Molecular Formula:
C14H20O
Molecular Weight:
204.3080
IUPAC Name:
1,1,4,4,7-pentamethyl-3H-isochromene
InChI:
InChI=1S/C14H20O/c1-10-6-7-11-12(8-10)14(4,5)15-9-13(11,2)3/h6-8H,9H2,1-5H3
InChI Key:
YLWBWWQYGGLKEE-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)C(C)(C)OCC2(C)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.151g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.313g/mol
Monoisotopic Mass:
204.151g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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