Sulisobenzone; Benzophenone 4

CAT: 1299-RG-A260731-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A260731-01Size:10 mg

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CAS Number

4065-45-6

Synonyms

5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid

Molecular Formula

C14H12O6S

Molecular Weight

308.31

Product Name Synonym

5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid

Chemical Information

Sulisobenzone

Sulisobenzone is a member of benzophenones.

CAS Number	4065-45-6
PubChem CID	19988
IUPAC Name	5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid
Molecular Formula	C14H12O6S
Molecular Weight	308.31
XLogP	2.2
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	462

SMILES

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

InChI

InChI=1S/C14H12O6S/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h2-8,15H,1H3,(H,17,18,19)

InChIKey

CXVGEDCSTKKODG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4065-45-6

CID: 19988

Formula: C14H12O6S

MW: 308.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	308.31
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	308.03545927
Monoisotopic Mass	308.03545927
Topological Polar Surface Area	109 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	462
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

Catalog	Name
RG-B030101-01	Benzophenone 9
RG-B030100-01	Benzophenone Hydrazone
RG-A262594-01	4,4',4'',4'''- (Oxybis (Methanetriyl) ) Tetrakis (Fluorobenzene)
RG-M052068-01	4,4'-Methylenediphenol
RG-E200827-01	4,4'-Azoxydiphenetole
RM-D550400-01	4,4'-Dde
RG-A260448-01	4,4'-Diaminobiphenylmethane
RG-P022668-01	4,4-Dimethoxypiperidine
RM-D540416-01	4,4'-Ddd
RG-D090825-01	4,4'-Dihydroxyazobenzene