CAS 39224-61-8 | 2-(Hydroxymethyl)-4-nitrophenol | CAS Number 39224-61-8

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39224-61-8 | 2-(Hydroxymethyl)-4-nitrophenol

CAS No: 39224-61-8 Catalog No: AG003F2H MDL No:MFCD01321361

Product Description

Catalog Number:

AG003F2H

Chemical Name:

2-(Hydroxymethyl)-4-nitrophenol

CAS Number:

39224-61-8

Molecular Formula:

C7H7NO4

Molecular Weight:

169.1348

MDL Number:

MFCD01321361

IUPAC Name:

2-(hydroxymethyl)-4-nitrophenol

InChI:

InChI=1S/C7H7NO4/c9-4-5-3-6(8(11)12)1-2-7(5)10/h1-3,9-10H,4H2

InChI Key:

JEIYIXDNZKATLC-UHFFFAOYSA-N

SMILES:

OCc1cc(ccc1O)[N+](=O)[O-]

Properties

Complexity:

167

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

169.038g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

169.136g/mol

Monoisotopic Mass:

169.038g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9

Literature

Title	Journal
18F-FEAnGA for PET of β-glucuronidase activity in neuroinflammation.	Journal of nuclear medicine : official publication, Society of Nuclear Medicine 20120301
2-Nitro and 4-nitro-quinone-methides are not irreversible inhibitors of bovine beta-glucuronidase.	Carbohydrate research 20010518