CAS 69788-75-6 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
Also known as: 69788-75-6, Veratric acid 4-chlorobutyl ester, P793vs3c3d, Benzoic acid, 3,4-dimethoxy-, 4-chlorobutyl ester, 4-chlorobutyl veratrate, 4-chlorobutyl3,4-dimethoxybenzoate
Molecular Formula
C13H17ClO4
Molecular Weight
272.72  g/mol
InChI Key
VDKIZIBOFDIQRW-UHFFFAOYSA-N
FDA UNII
P793VS3C3D

CAS 69788-75-6
1 2D Structure

CAS 69788-75-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-chlorobutyl 3,4-dimethoxybenzoate
2.1.2 InChI
InChI=1S/C13H17ClO4/c1-16-11-6-5-10(9-12(11)17-2)13(15)18-8-4-3-7-14/h5-6,9H,3-4,7-8H2,1-2H3
2.1.3 InChI Key
VDKIZIBOFDIQRW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=C(C=C(C=C1)C(=O)OCCCCCl)OC
2.2 Other Identifiers
2.2.1 UNII
P793VS3C3D
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 69788-75-6

2. Veratric Acid 4-chlorobutyl Ester

3. P793vs3c3d

4. Benzoic Acid, 3,4-dimethoxy-, 4-chlorobutyl Ester

5. 4-chlorobutyl Veratrate

6. 4-chlorobutyl3,4-dimethoxybenzoate

7. 3,4-dimethoxybenzoic Acid 4-chlorobutyl Ester

8. Ec 410-950-1

9. Unii-p793vs3c3d

10. Schembl11493970

11. Dtxsid70511279

12. Zinc15119266

13. Akos015999531

14. A866748

15. J-515146

16. Mebeverine Hydrochloride Impurity E [ep Impurity]

2.4 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 272.72 g/mol
Molecular Formula C13H17ClO4
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass272.0815367 g/mol
Monoisotopic Mass272.0815367 g/mol
Topological Polar Surface Area44.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity247
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty