Dioxybenzone

CAT: 0127-BUP18123-04Size: 2 gDry Ice: NoHazardous: No

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CAS Number

131-53-3

Synonyms

UV-24, Benzophenone-8, 2,2'-Dihydroxy-4-methoxybenzophenone, Dioxybenzon, Cyasorb UV 24, Advastab 47

Purity

=98%

Smiles

C(=O)(C1=C(O)C=C(OC)C=C1)C2=C(O)C=CC=C2

Chemical Information

2,2'-Dihydroxy-4-methoxybenzophenone

2,2'-Dihydroxy-4-methoxybenzophenone is a member of benzophenones.

CAS Number	131-53-3
PubChem CID	8569
IUPAC Name	(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
Molecular Formula	C14H12O4
Molecular Weight	244.24
XLogP	3.3
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	292

SMILES

COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2O)O

InChI

InChI=1S/C14H12O4/c1-18-9-6-7-11(13(16)8-9)14(17)10-4-2-3-5-12(10)15/h2-8,15-16H,1H3

InChIKey

MEZZCSHVIGVWFI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 131-53-3

CID: 8569

Formula: C14H12O4

MW: 244.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	244.24
XLogP3	3.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	244.07355886
Monoisotopic Mass	244.07355886
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	292
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes