structure of 2-(3-Methoxyphenyl)-5,5-dimethyl-1,3,2-dioxaborinane

2-(3-Methoxyphenyl)-5,5-dimethyl-1,3,2-dioxaborinane

CAS No.: 1003858-50-1
M. Wt: 220.07300
M. Fa: C12H17BO3
InChI Key: MKCVEYYIUNSTFL-UHFFFAOYSA-N
Appearance: White Solid

Names and Identifiers of 1003858-50-1

CAS Number

1003858-50-1

MDL Number

MFCD32103768

IUPAC Name

2-(3-methoxyphenyl)-5,5-dimethyl-1,3,2-dioxaborinane

InChI

InChI=1S/C12H17BO3/c1-12(2)8-15-13(16-9-12)10-5-4-6-11(7-10)14-3/h4-7H,8-9H2,1-3H3

InChIKey

MKCVEYYIUNSTFL-UHFFFAOYSA-N

Canonical SMILES

B1(OCC(CO1)(C)C)C2=CC(=CC=C2)OC

Physical and chemical properties of 1003858-50-1

Exact Mass

220.12700

H Bond Acceptors

3

H Bond Donors

0

LogP

1.46340

Molecular Formula

C12H17BO3

Molecular Weight

220.07300

PSA

27.69000

Storage condition

2-8℃

Safety Information of 1003858-50-1

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Physical sample testing spectrum (NMR) of 1003858-50-1

Physical sample testing spectrum (NMR) of 1003858-50-1

Retrosynthesis analysis of 1003858-50-1

  • Route#1

    Cas:126-30-7
    Cas:2398-37-0
    Cas:1003858-50-1

  • Route#2

    Cas:10365-98-7
    Cas:126-30-7
    Cas:1003858-50-1