2- (Methoxymethyl) benzoic acid

CAT: 0127-OR1072486-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1072486-01Size:100 mg

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CAS Number

88550-19-0

MDL Number

MFCD09863839

Purity

95%

Smiles

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

Chemical Information

2-(Methoxymethyl)benzoic acid

CAS Number	88550-19-0
PubChem CID	12245627
IUPAC Name	2-(methoxymethyl)benzoic acid
Molecular Formula	C9H10O3
Molecular Weight	166.17
XLogP	1.7
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=C1C(=O)O

InChI

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

InChIKey

SZBJAHPVWKIPIU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 88550-19-0

CID: 12245627

Formula: C9H10O3

MW: 166.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.17
XLogP3	1.7
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
OR954026-01	4- (Methoxymethyl) benzoic acid
OR965593-01	3- (Methoxymethyl) benzoic acid
OR1094897-01	2-Methoxy-5- (methoxymethyl) benzoic acid
PC1009647-01	2- (Methoxymethyl) -5- (trifluoromethyl) benzoic acid
PC1012539	2-Fluoro-5- (methoxymethyl) benzoic acid
PC1024516	2- (Methoxymethyl) -4- (trifluoromethyl) benzoic acid
OR1080112-01	2-chloro-4- (methoxymethyl) benzoic acid
PC1014062-01	2,6-Difluoro-3- (methoxymethyl) benzoic acid
PC1013968-01	2,4-Difluoro-3- (methoxymethyl) benzoic acid
PC1013956-01	2,3-Difluoro-4- (methoxymethyl) benzoic acid

Catalog	Name
429609-01	4- (Methoxymethyl) benzoic acid
TRC-M329835-25MG	4-(Methoxymethyl)benzoic acid
sc-275845	3- (methoxymethyl) benzoic acid
NDA55019	2- (Methoxymethyl) benzoic acid
IDC83434-01	4-Fluoro-3- (methoxymethyl) benzoic acid
WEA92506-01	3-Methoxy-4- (methoxymethyl) benzoic acid
CUA19979-01	3-Fluoro-4- (methoxymethyl) benzoic acid
sc-311046	4-Methoxy-3- (methoxymethyl) benzoic acid
IJC51054-01	4-[3- (Methoxymethyl) pyrrolidin-1-yl]benzoic acid
sc-315288	4-[ (5-Methoxymethyl-furan-2-carbonyl) -amino]-benzoic acid