2- (Carbamoylmethoxy) benzoic acid

CAT: 0926-GCA42481-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-GCA42481-01Size:100 mg

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CAS Number

56424-81-8

MDL Number

MFCD04508187

Smiles

C1=CC=C (C (=C1) C (=O) O) OCC (=O) N

Molecular Formula

C9H9NO4

Molecular Weight

195.17 g/mol

Controlled

Chemical Information

2-(Carbamoylmethoxy)benzoic acid

CAS Number	56424-81-8
PubChem CID	967324
IUPAC Name	2-(2-amino-2-oxoethoxy)benzoic acid
Molecular Formula	C9H9NO4
Molecular Weight	195.17
XLogP	0.5
Topological Polar Surface Area	89.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	229

SMILES

C1=CC=C(C(=C1)C(=O)O)OCC(=O)N

InChI

InChI=1S/C9H9NO4/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H2,10,11)(H,12,13)

InChIKey

UKHQVRKUAZGYQM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 56424-81-8

CID: 967324

Formula: C9H9NO4

MW: 195.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	195.17
XLogP3	0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	195.05315777
Monoisotopic Mass	195.05315777
Topological Polar Surface Area	89.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	229
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
ZZB59078-01	3- (Carbamoylmethoxy) -4-methylbenzoic acid
WJB67325-01	4- (Carbamoylmethoxy) -3,5-dimethoxybenzoic acid
YLB22495-01	4- (Carbamoylmethoxy) -3-chloro-5-methoxybenzoic acid
SAA84096	2- (Isobutyrylamino) benzoic acid
IBA96355	2- (Methylsulphonyl) benzoic acid
FP38629-01	2-Propoxy benzoic acid
VAA32037-01	2- (Dimethylcarbamoyl) benzoic acid
FCA75160-01	2- (Cyclohexyloxy) benzoic acid
FC36693	2- (Chloromethyl) benzoic acid
AFA37222-01	2- (Methylsulfamoyl) benzoic acid

Catalog	Name
T0833-01	Benzoic acid
sc-316059	4-Carbamoylmethoxy-benzenesulfonyl chloride