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1222-04-4 | 1H-Naphtho[2,3-c]pyran, 3,4,6,7,8,9-hexahydro-3,6,6,9,9-pentamethyl-
CAS No: 1222-04-4 Catalog No: AG0016XO MDL No:
Product Description
Catalog Number:
AG0016XO
Chemical Name:
1H-Naphtho[2,3-c]pyran, 3,4,6,7,8,9-hexahydro-3,6,6,9,9-pentamethyl-
CAS Number:
1222-04-4
Molecular Formula:
C18H26O
Molecular Weight:
258.3984
IUPAC Name:
3,6,6,9,9-pentamethyl-3,4,7,8-tetrahydro-1H-benzo[g]isochromene
InChI:
InChI=1S/C18H26O/c1-12-8-13-9-15-16(10-14(13)11-19-12)18(4,5)7-6-17(15,2)3/h9-10,12H,6-8,11H2,1-5H3
InChI Key:
YTICFLNVEMAUSM-UHFFFAOYSA-N
SMILES:
CC1OCc2c(C1)cc1c(c2)C(C)(C)CCC1(C)C
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.198g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.405g/mol
Monoisotopic Mass:
258.198g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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