Methyl 3-ethoxybenzoate

CAT: 0127-OR907890-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR907890-01Size:5 g

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CAS Number

108593-47-1

MDL Number

MFCD00017263

Purity

98%

Smiles

CCOc1cccc(c1)C(=O)OC

Chemical Information

Methyl 3-ethoxybenzoate

CAS Number	108593-47-1
PubChem CID	3267781
IUPAC Name	methyl 3-ethoxybenzoate
Molecular Formula	C10H12O3
Molecular Weight	180.20
XLogP	2.6
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	168

SMILES

CCOC1=CC=CC(=C1)C(=O)OC

InChI

InChI=1S/C10H12O3/c1-3-13-9-6-4-5-8(7-9)10(11)12-2/h4-7H,3H2,1-2H3

InChIKey

IFLQNIVRGRISMD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 108593-47-1

CID: 3267781

Formula: C10H12O3

MW: 180.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.20
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	180.078644241
Monoisotopic Mass	180.078644241
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	168
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
OR1094359-01	Methyl 3-bromo-5-ethoxybenzoate
OR1086941-01	Methyl 3-ethyl-4-ethoxybenzoate
OR950296-01	Methyl 3-amino-5-ethoxybenzoate
OR84242-01	Methyl 3-chloro-4-ethoxybenzoate
OR91337-01	Methyl 3-bromo-4-ethoxybenzoate
BUP13445-01	Methyl 4-ethoxybenzoate
OR937109-01	Methyl 4-ethoxybenzoate
OR924750-01	Methyl 2-ethoxybenzoate
OR1086041	Methyl 3-bromo-2-ethoxybenzoate
OR1083203-01	Methyl 4-chloro-3-ethoxybenzoate

Catalog	Name
FM71085-01	Methyl 3-ethoxybenzoate
M24080-01	Methyl 4-ethoxybenzoate
455187-01	Methyl 3-bromo-5-ethoxybenzoate
RG-M200863-01	Methyl 2-Ethoxybenzoate
HMB89653-01	Methyl 3- (chlorosulfonyl) -4-ethoxybenzoate
VID41058-01	Methyl 4-amino-3-ethoxybenzoate hydrochloride
M330568	Methyl 5-Acetyl-2-ethoxybenzoate
AIA57517-01	Methyl 5- (chlorosulfonyl) -2-ethoxybenzoate
455600-01	Methyl 5- (2,2-Dihydroxyacetyl) -2-ethoxybenzoate
TRC-M293263-100MG	Methyl 4-Acetamido-5-chloro-2-ethoxybenzoate