CAS 18363-10-5 | 1-Oxaspiro[4.4]nonane-4-carboxylic acid, 2-oxo- | CAS Number 18363-10-5

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18363-10-5 | 1-Oxaspiro[4.4]nonane-4-carboxylic acid, 2-oxo-

CAS No: 18363-10-5 Catalog No: AG0027SP MDL No:MFCD00461592

Product Description

Catalog Number:

AG0027SP

Chemical Name:

1-Oxaspiro[4.4]nonane-4-carboxylic acid, 2-oxo-

CAS Number:

18363-10-5

Molecular Formula:

C9H12O4

Molecular Weight:

184.1892

MDL Number:

MFCD00461592

IUPAC Name:

2-oxo-1-oxaspiro[4.4]nonane-4-carboxylic acid

InChI:

InChI=1S/C9H12O4/c10-7-5-6(8(11)12)9(13-7)3-1-2-4-9/h6H,1-5H2,(H,11,12)

InChI Key:

RHSJEQPXBBAWME-UHFFFAOYSA-N

SMILES:

O=C1CC(C2(O1)CCCC2)C(=O)O

Properties

Complexity:

252

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

184.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

184.191g/mol

Monoisotopic Mass:

184.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4

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