4- (2-Methoxyethoxy) -2-methylbenzoic acid

CAT: 0127-OR1082698-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1082698-01Size:250 mg

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CAS Number

1351690-32-8

MDL Number

MFCD24079447

Purity

95%

Smiles

O (CCOC) c1cc (C) c (C (=O) O) cc1

Chemical Information

4-(2-Methoxyethoxy)-2-methylbenzoic acid

CAS Number	1351690-32-8
PubChem CID	81282464
IUPAC Name	4-(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(=C1)OCCOC)C(=O)O

InChI

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

InChIKey

JQHRLVRTGVWZHF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1351690-32-8

CID: 81282464

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
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OR1089570-01	5-Chloro-4- (methoxymethoxy) -2-methylbenzoic acid
OR908296-01	4- (2-Methoxyethoxy) phenylboronic acid
OR1085480	4-isobutoxy-2-methylbenzoic acid

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