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CAT: 0024-sc-475657Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-475657Size:500 mg
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CAS Number
302776-68-7

Chemical Information

Hexyl 2-(4-(diethylamino)-2-hydroxybenzoyl)benzoate

Diethylamino hydroxybenzoyl hexyl benzoate is a member of benzophenones.

CAS Number302776-68-7
PubChem CID10111431
IUPAC Namehexyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
Molecular FormulaC24H31NO4
Molecular Weight397.5
XLogP6.5
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count29
Formal Charge0
Complexity505
SMILES
CCCCCCOC(=O)C1=CC=CC=C1C(=O)C2=C(C=C(C=C2)N(CC)CC)O
InChI
InChI=1S/C24H31NO4/c1-4-7-8-11-16-29-24(28)20-13-10-9-12-19(20)23(27)21-15-14-18(17-22(21)26)25(5-2)6-3/h9-10,12-15,17,26H,4-8,11,16H2,1-3H3
InChIKey
FDATWRLUYRHCJE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hexyl 2-(4-(diethylamino)-2-hydroxybenzoyl)benzoate
CAS: 302776-68-7
CID: 10111431
Formula: C24H31NO4
MW: 397.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight397.5
XLogP36.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass397.22530847
Monoisotopic Mass397.22530847
Topological Polar Surface Area66.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity505
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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