2,3,3',4'-Tetramethoxybenzophenone

CAT: 0926-FT70196Size: 250 gDry Ice: NoHazardous: No

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CAT#:0926-FT70196Size:250 g

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CAS Number

50625-53-1

MDL Number

MFCD00008359

Smiles

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

Molecular Formula

C17H18O5

Molecular Weight

302.32 g/mol

Controlled

Chemical Information

2,3,3',4'-Tetramethoxybenzophenone

CAS Number	50625-53-1
PubChem CID	2724108
IUPAC Name	(2,3-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methanone
Molecular Formula	C17H18O5
Molecular Weight	302.32
XLogP	3.1
Topological Polar Surface Area	54
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	22
Formal Charge	0
Complexity	359

SMILES

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

InChI

InChI=1S/C17H18O5/c1-19-13-9-8-11(10-15(13)21-3)16(18)12-6-5-7-14(20-2)17(12)22-4/h5-10H,1-4H3

InChIKey

ZZMLFJJROAGMSL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 50625-53-1

CID: 2724108

Formula: C17H18O5

MW: 302.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	302.32
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	302.11542367
Monoisotopic Mass	302.11542367
Topological Polar Surface Area	54 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	359
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
FA46741-01	4-Aminobutyric-2,2,3,3,4,4-D6
IEA15621	2,2,3,3,4,4,4-Heptafluorobutyl chloroformate
AAA67912	2,2,3,3,4,4-Hexafluorobutyric acid
MPA04953	Sodium 2,2,3,3,4,4-hexadeuterio-4-hydroxybutanoate
FP97147-01	3,3,4,4,4-Pentafluoro-2-butanol
GNA26081	2,2,3,3,4,4,4-heptafluoro-N- (2-indol-3-ylethyl) butanamide
WCA16256	3- (2- (2,4-Dichlorophenyl) -2-hydroxyethyl) -3,4-imidazolidinedione
RBA46443-01	2,3,3',4'-Tetrachlorobiphenyl
ZCA33824-01	2,3,3',4-Tetrachlorobiphenyl
ZCA47242-01	2,3,3',4,4',6-Hexachlorobiphenyl

Catalog	Name
PC450319	2,2,3,3,4,4,4-Heptafluorobutyl 2,2,3,3,3-pentafluoropropyl carbonate
PC450321	2,2,3,3,4,4,4-Heptafluorobutyl 2,2,3,3-tetrafluoropropyl carbonate
PC450320	2,2,3,4,4,4-Hexafluorobutyl 2,2,3,3,3-pentafluoropropyl carbonate
419412-01	2,2,3,3,4,4,4-Heptafluorobutylamine
sc-260173A	2,2,3,3,4,4,4-Heptafluorobutyrophenone
PC1008261	2,2,3,3,4,4,4-Heptafluorobutanal
PC4440-01	2,2,3,3,4,4,4-Heptafluorobutanamide
TRC-H290825-100MG	2,2',3,3',4,4'-Hexachlorobiphenyl
PC450386	4-Bromo-3,3,4,4-tetrafluorobutyl 2,2,3,3,3-pentafluoropropyl carbonate
PC450330	2,2,3,3,4,4,4-Heptafluorobutyl 2,2,3,4,4,4-hexafluorobutyl carbonate