3- (2-methoxyethoxy) -2-methylbenzoic acid

CAT: 0127-OR1084659-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1084659-01Size:250 mg

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CAS Number

1558500-50-7

Purity

95%

Smiles

C1cc (c (c (c1) C (=O) O) C) OCCOC

Chemical Information

3-(2-Methoxyethoxy)-2-methylbenzoic acid

CAS Number	1558500-50-7
PubChem CID	82827207
IUPAC Name	3-(2-methoxyethoxy)-2-methylbenzoic acid
Molecular Formula	C11H14O4
Molecular Weight	210.23
XLogP	1.6
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	205

SMILES

CC1=C(C=CC=C1OCCOC)C(=O)O

InChI

InChI=1S/C11H14O4/c1-8-9(11(12)13)4-3-5-10(8)15-7-6-14-2/h3-5H,6-7H2,1-2H3,(H,12,13)

InChIKey

HWKMDHSSAXOZQN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1558500-50-7

CID: 82827207

Formula: C11H14O4

MW: 210.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	210.23
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	210.08920892
Monoisotopic Mass	210.08920892
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	205
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
OR1082571-01	4- (2-methoxyethoxy) -3-methylbenzoic acid
OR1081529-01	3- (2-methoxyethoxy) -4-methylbenzoic acid
OR1082698-01	4- (2-Methoxyethoxy) -2-methylbenzoic acid
PC1018606-01	2-Fluoro-5- (methoxymethoxy) -3-methylbenzoic acid
PC1016665-01	6-fluoro-2- (methoxymethoxy) -3-methylbenzoic acid
PC1017331-01	2-Fluoro-3- (methoxymethoxy) -5-methylbenzoic acid
OR1010642-01	3- (2-Methoxyethoxy) Propanoic Acid
OR361356	3- (2-Methoxyethoxy) phenylboronic acid
OR962735-01	3- (2-Methoxyethoxy) benzoic acid
OR1082979-01	3-isopropoxy-2-methylbenzoic acid

Catalog	Name
AIA61709-01	2- (2-Methoxyethoxy) propanoic acid
YDA68432	2- (2-Methoxyethoxy) benzoic acid
TRC-M304318-500MG	2-(2-Methoxyethoxy)phenylboronic Acid
413217-01	2- (2-Methoxyethoxy) phenylboronic acid
sc-265176	2- (2-Methoxyethoxy) acetic acid
414470-01	2-[ (2-methoxyethoxy) methyl]phenylboronic acid
TRC-M262785-10G	2-(2-Methoxyethoxy)acetic Acid (90%)
FM45822-01	(2- (2-Methoxyethoxy) ethoxy) acetic acid
TRC-M304515-500MG	2-(2-(2-Methoxyethoxy)ethoxy)acetic Acid
GX2631-5g	2-[2- (2-Methoxyethoxy) ethoxy]acetic acid