3-Hydroxymethyl Mefenamic Acid

CAT: 0024-sc-209615Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-209615Size:1 mg

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CAS Number

5129-20-4

Chemical Information

3-Hydroxymethyl Mefenamic Acid

CAS Number	5129-20-4
PubChem CID	610738
IUPAC Name	2-[3-(hydroxymethyl)-2-methylanilino]benzoic acid
Molecular Formula	C15H15NO3
Molecular Weight	257.28
XLogP	3.9
Topological Polar Surface Area	69.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	0
Complexity	308

SMILES

CC1=C(C=CC=C1NC2=CC=CC=C2C(=O)O)CO

InChI

InChI=1S/C15H15NO3/c1-10-11(9-17)5-4-8-13(10)16-14-7-3-2-6-12(14)15(18)19/h2-8,16-17H,9H2,1H3,(H,18,19)

InChIKey

QBONJEHEDCBRMZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5129-20-4

CID: 610738

Formula: C15H15NO3

MW: 257.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	257.28
XLogP3	3.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	257.10519334
Monoisotopic Mass	257.10519334
Topological Polar Surface Area	69.6 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	308
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-205380A	Mefenamic acid
sc-205380	Mefenamic acid
sc-209565	3-Carboxy Mefenamic Acid
sc-491046	Mefenamic-d4 Acid
sc-218681A	Mefenamic acid-d3
sc-218681	Mefenamic acid-d3
sc-209566	3-Carboxy Mefenamic Acid Acyl-β-D-glucuronide
sc-256421	3- (Hydroxymethyl) phenylboronic acid
sc-209614	3-Hydroxymethyl Meclofenamic Acid
sc-216465	3-Hydroxymethyl Meclofenamic Acid-d4

Catalog	Name
014073	3-Hydroxymethyl Mefenamic Acid
014074	3-Hydroxymethyl Mefenamic Acid Acyl-β-D-glucuronide
MH10454-01	3-Hydroxymethyl mefenamic acid acyl b-D-glucuronide
TRC-H947848-25MG	3-Hydroxymethyl Mefenamic Acid Acyl-beta-D-glucuronide
TRC-C178645-25MG	3-Carboxy Mefenamic Acid
AR-M04096-01	Mefenamic Acid Impurity 3
005721	3-Carboxy Mefenamic Acid Acyl-β-D-glucuronide
TRC-D477945-1G	N-(2,3-Dimethylphenyl) Mefenamic Acid Carboxamide
WAA12268	N- (2,3-Dimethylphenyl) mefenamic acid carboxamide
TRC-C178650-25MG	3-Carboxy Mefenamic Acid Acyl-beta-D-glucuronide