My ChemCD

5743-17-9
CAFFEINE BENZOATE

Directory: 1. Identification; 2. Chemical and Physical Properties; 3. Material Safety Data Sheet(MSDS); 4. CML File; 5. TOP Suppliers; 6. Related products

Name

CAFFEINE BENZOATE

Formula

C8 H10 N4 O2 . C7 H6 O2

MolWeight

316.315

CCD No.

CCD00610291

CAS

5743-17-9

MDL

MFCD07783181

1Identification

【Name】

CAFFEINE BENZOATE

【CAS】

5743-17-9

【MDL】

MFCD07783181

【English Synonyms】

CAFFEINE BENZOATE

【Formula】

C8 H10 N4 O2 . C7 H6 O2

【MolWeight】

316.315

【Inchi】

InChI=1S/C8H10N4O2.C7H6O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;8-7(9)6-4-2-1-3-5-6/h4H,1-3H3;1-5H,(H,8,9)

【InChIKey】

InChIKey=VXXKVQICUHMECR-UHFFFAOYSA-N

【SMILES】

Cn1cnc2c1c(=O)n(c(=O)n2C)C.c1ccc(cc1)C(=O)O

【MOL File】

CAFFEINE BENZOATE.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:0

H bond acceptor:6

XLogP3:0.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

CAFFEINE BENZOATE.cml

Quick Release

TOP Suppliers

Boc Sciences
Catalog No:5743-17-9 up to kgs
Country/Region:United States
Business Type:Trading Company
https://www.bocsci.com/

Alfa Chemistry
Catalog No:ATM5743179 up to kgs
Country/Region:United States
Business Type:Trading Company
https://www.alfa-chemistry.com

Youchemicals Limited
Catalog No:Y216662
Country/Region:China
Business Type:Trading Company
http://www.youchemicals.com

More 5743-17-9 Suppliers>>

5743-17-9 CAFFEINE BENZOATE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】

【InChIKey】

【SMILES】

【MOL File】

2Chemical and Physical Properties

【Computed Properties】

3Material Safety Data Sheet(MSDS)

4CML File

TOP Suppliers

Related products

5743-17-9
CAFFEINE BENZOATE