CAS 1131-63-1 | 5,6,7,8-Tetrahydronaphthalene-2-carboxylic acid | CAS Number 1131-63-1

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1131-63-1 | 5,6,7,8-Tetrahydronaphthalene-2-carboxylic acid

CAS No: 1131-63-1 Catalog No: AG003463 MDL No:MFCD01861899

Product Description

Catalog Number:

AG003463

Chemical Name:

5,6,7,8-Tetrahydronaphthalene-2-carboxylic acid

CAS Number:

1131-63-1

Molecular Formula:

C11H12O2

Molecular Weight:

176.2118

MDL Number:

MFCD01861899

IUPAC Name:

5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

InChI:

InChI=1S/C11H12O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2,(H,12,13)

InChI Key:

RSWXAGBBPCRION-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc2c(c1)CCCC2

EC Number:

214-469-6

NSC Number:

131342

Properties

Complexity:

200

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

176.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

176.215g/mol

Monoisotopic Mass:

176.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Anaerobic degradation of polycyclic aromatic hydrocarbons.	FEMS microbiology ecology 20040701
The use of a solid adsorber resin for enrichment of bacteria with toxic substrates and to identify metabolites: degradation of naphthalene, O-, and m-xylene by sulfate-reducing bacteria.	Journal of microbiological methods 20010301