CAS 5078-07-9 | 6-Hydroxy-2-methylbenzoxazole | CAS Number 5078-07-9

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5078-07-9 | 6-Hydroxy-2-methylbenzoxazole

CAS No: 5078-07-9 Catalog No: AG00DD0Q MDL No:MFCD00464862

Product Description

Catalog Number:

AG00DD0Q

Chemical Name:

6-Hydroxy-2-methylbenzoxazole

CAS Number:

5078-07-9

Molecular Formula:

C8H7NO2

Molecular Weight:

149.1467

MDL Number:

MFCD00464862

IUPAC Name:

2-methyl-1,3-benzoxazol-6-ol

InChI:

InChI=1S/C8H7NO2/c1-5-9-7-3-2-6(10)4-8(7)11-5/h2-4,10H,1H3

InChI Key:

RZKJWYDRDBVDJJ-UHFFFAOYSA-N

SMILES:

Oc1ccc2c(c1)oc(n2)C

Properties

Complexity:

151

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

149.048g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

149.149g/mol

Monoisotopic Mass:

149.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
6-(2-adamantan-2-ylidene-hydroxybenzoxazole)-O-sulfamate: a potent non-steroidal irreversible inhibitor of human steroid sulfatase.	Bioorganic & medicinal chemistry letters 20031215