CAS 1878-59-7 | Acetic acid, 2-[(5,6,7,8-tetrahydro-2-naphthalenyl)oxy]- | CAS Number 1878-59-7

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1878-59-7 | Acetic acid, 2-[(5,6,7,8-tetrahydro-2-naphthalenyl)oxy]-

CAS No: 1878-59-7 Catalog No: AG002GI2 MDL No:MFCD03145115

Product Description

Catalog Number:

AG002GI2

Chemical Name:

Acetic acid, 2-[(5,6,7,8-tetrahydro-2-naphthalenyl)oxy]-

CAS Number:

1878-59-7

Molecular Formula:

C12H14O3

Molecular Weight:

206.2378

MDL Number:

MFCD03145115

IUPAC Name:

2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetic acid

InChI:

InChI=1S/C12H14O3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h5-7H,1-4,8H2,(H,13,14)

InChI Key:

WCKYBLCGUSVWQI-UHFFFAOYSA-N

SMILES:

OC(=O)COc1ccc2c(c1)CCCC2

Properties

Complexity:

227

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

206.094g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

206.241g/mol

Monoisotopic Mass:

206.094g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501