CAS 52187-19-6 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: Zinc5762611, (3as)-3aalpha,4,9,9aalpha-tetrahydro-2,2-dimethylnaphtho[2,3-d]-1,3-dioxol-5-ol
Molecular Formula
C13H16O3
Molecular Weight
220.26  g/mol
InChI Key
VHQZRMCDYDICCK-NEPJUHHUSA-N

CAS 52187-19-6
1 2D Structure

CAS 52187-19-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3aS,9aR)-2,2-dimethyl-3a,4,9,9a-tetrahydrobenzo[f][1,3]benzodioxol-5-ol
2.1.2 InChI
InChI=1S/C13H16O3/c1-13(2)15-11-6-8-4-3-5-10(14)9(8)7-12(11)16-13/h3-5,11-12,14H,6-7H2,1-2H3/t11-,12+/m1/s1
2.1.3 InChI Key
VHQZRMCDYDICCK-NEPJUHHUSA-N
2.1.4 Canonical SMILES
CC1(OC2CC3=C(CC2O1)C(=CC=C3)O)C
2.1.5 Isomeric SMILES
CC1(O[C@@H]2CC3=C(C[C@@H]2O1)C(=CC=C3)O)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Zinc5762611

2. (3as)-3aalpha,4,9,9aalpha-tetrahydro-2,2-dimethylnaphtho[2,3-d]-1,3-dioxol-5-ol

2.3 Create Date
2007-02-07
3 Chemical and Physical Properties
Molecular Weight 220.26 g/mol
Molecular Formula C13H16O3
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass220.109944368 g/mol
Monoisotopic Mass220.109944368 g/mol
Topological Polar Surface Area38.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity276
Isotope Atom Count0
Defined Atom Stereocenter Count2
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