Ethanolamine Gentisate

CAT: 0024-sc-337701Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-337701Size:1 g

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CAS Number

61969-53-7

Chemical Information

2,5-dihydroxy-N-(2-hydroxyethyl)benzamide

structure in first source

CAS Number	61969-53-7
PubChem CID	112794
IUPAC Name	2,5-dihydroxy-N-(2-hydroxyethyl)benzamide
Molecular Formula	C9H11NO4
Molecular Weight	197.19
XLogP	0.7
Topological Polar Surface Area	89.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	197

SMILES

C1=CC(=C(C=C1O)C(=O)NCCO)O

InChI

InChI=1S/C9H11NO4/c11-4-3-10-9(14)7-5-6(12)1-2-8(7)13/h1-2,5,11-13H,3-4H2,(H,10,14)

InChIKey

YNCOLLPSNIHBGO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 61969-53-7

CID: 112794

Formula: C9H11NO4

MW: 197.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	197.19
XLogP3	0.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	197.06880783
Monoisotopic Mass	197.06880783
Topological Polar Surface Area	89.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	197
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-203042A	Ethanolamine
sc-203042B	Ethanolamine
sc-203042	Ethanolamine
sc-326924	Ethanolamine hydrochloride
sc-500278	Dansyl-ethanolamine
sc-485563	Ethanolamine Thioglycolate
sc-326924A	Ethanolamine hydrochloride
sc-499115	Ethanolamine-13C2
sc-517100	Ethanolamine kinase (3F11)
sc-253078	N- (Allyloxycarbonyl) ethanolamine