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116996-10-2 | Phenol, 2-(3,4-dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)-
CAS No: 116996-10-2 Catalog No: AG000DGY MDL No:
Product Description
Catalog Number:
AG000DGY
Chemical Name:
Phenol, 2-(3,4-dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)-
CAS Number:
116996-10-2
Molecular Formula:
C18H20O2
Molecular Weight:
268.3502
IUPAC Name:
2-(2,2,4-trimethyl-3H-chromen-4-yl)phenol
InChI:
InChI=1S/C18H20O2/c1-17(2)12-18(3,13-8-4-6-10-15(13)19)14-9-5-7-11-16(14)20-17/h4-11,19H,12H2,1-3H3
InChI Key:
UTSKSFWKNJMSOE-UHFFFAOYSA-N
SMILES:
Oc1ccccc1C1(C)CC(C)(C)Oc2c1cccc2
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.146g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.356g/mol
Monoisotopic Mass:
268.146g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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