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2- (Hydroxymethyl) anthraquinone (Standard)

CAT: 0804-HY-N7502RSize: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N7502RSize:1 Each
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Description
2- (Hydroxymethyl) anthraquinone is used as a photoremovable protecting group (PRPG) to chemically cage sex pheromone (e.g. (Z) -11-hexadecen-1-ol (sex pheromone of Chilo infuscatellussnellen) ) [1].
CAS Number
17241-59-7
UNSPSC
12352005
Target
Others
Related Pathways
Others
Field of Research
Others
Smiles
O=C1C2=C(C=CC=C2)C(C3=CC=C(CO)C=C13)=O
Molecular Formula
C15H10O3
Molecular Weight
238.24
References & Citations
[1]Sanghamitra Atta, et al. Photoremovable protecting groups as controlled-release device for sex pheromone. Photochem Photobiol Sci. 2013 Feb;12 (2) :393-403
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

2-(Hydroxymethyl)anthraquinone

2-(hydroxymethyl)anthraquinone is an anthraquinone. It has a role as a metabolite.

CAS Number17241-59-7
PubChem CID87014
IUPAC Name2-(hydroxymethyl)anthracene-9,10-dione
Molecular FormulaC15H10O3
Molecular Weight238.24
XLogP2.7
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity363
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)CO
InChI
InChI=1S/C15H10O3/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-7,16H,8H2
InChIKey
JYKHAJGLEVKEAA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Hydroxymethyl)anthraquinone
CAS: 17241-59-7
CID: 87014
Formula: C15H10O3
MW: 238.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight238.24
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass238.062994177
Monoisotopic Mass238.062994177
Topological Polar Surface Area54.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity363
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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