3- (Methoxymethyl) benzoic acid

CAT: 0926-HBA19476Size: 2.5 gDry Ice: NoHazardous: No

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CAT#:0926-HBA19476Size:2.5 g

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CAS Number

32194-76-6

MDL Number

MFCD01871355

Smiles

COCC1=CC (=CC=C1) C (=O) O

Molecular Formula

C9H10O3

Molecular Weight

166.17 g/mol

Controlled

Chemical Information

3-(methoxymethyl)benzoic Acid

CAS Number	32194-76-6
PubChem CID	4962354
IUPAC Name	3-(methoxymethyl)benzoic acid
Molecular Formula	C9H10O3
Molecular Weight	166.17
XLogP	1.3
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	156

SMILES

COCC1=CC(=CC=C1)C(=O)O

InChI

InChI=1S/C9H10O3/c1-12-6-7-3-2-4-8(5-7)9(10)11/h2-5H,6H2,1H3,(H,10,11)

InChIKey

ZPBMOTGPFVLBMN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 32194-76-6

CID: 4962354

Formula: C9H10O3

MW: 166.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.17
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	166.062994177
Monoisotopic Mass	166.062994177
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	156
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
NDA55019	2- (Methoxymethyl) benzoic acid
WEA92506-01	3-Methoxy-4- (methoxymethyl) benzoic acid
CUA19979-01	3-Fluoro-4- (methoxymethyl) benzoic acid
IJC51054-01	4-[3- (Methoxymethyl) pyrrolidin-1-yl]benzoic acid
HHC67874-01	3-[5- (Methoxymethyl) -1,3,4-oxadiazol-2-yl]benzoic acid
RMC65421-01	3- (Methoxymethyl) oxolane-3-carboxylic acid
RWD23660-01	3- (Methoxymethyl) oxetane-3-carboxylic acid
TAA18942	3- (Ethoxycarbonyl) benzoic acid
RAA77694-01	3- (Phenylcarbamoyl) benzoic acid
FF79895	3- (Fluorosulphonyl) Benzoic Acid

Catalog	Name
429609-01	4- (Methoxymethyl) benzoic acid
TRC-M329835-25MG	4-(Methoxymethyl)benzoic acid
sc-275845	3- (methoxymethyl) benzoic acid
sc-340328A	2- (methoxymethyl) benzoic acid
PC1019095-01	3- (methoxymethyl) -5- (trifluoromethyl) benzoic acid
OR1081110-01	4-chloro-3- (methoxymethyl) benzoic acid
OR1097048	3-Bromo-5- (methoxymethyl) benzoic acid
OR1090293-01	3-chloro-2- (methoxymethyl) benzoic acid
OR1084223-01	3-Chloro-4- (methoxymethyl) benzoic acid
OR1094898	4-Methoxy-3- (methoxymethyl) benzoic acid