Methyl 3- (2-hydroxyethyl) benzoate

CAT: 0926-DGA59945-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-DGA59945-01Size:50 mg

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CAS Number

153599-45-2

MDL Number

MFCD26394990

Smiles

COC (=O) C1=CC=CC (=C1) CCO

Molecular Formula

C10H12O3

Molecular Weight

180.2 g/mol

Controlled

Chemical Information

Methyl 3-(2-hydroxyethyl)benzoate

CAS Number	153599-45-2
PubChem CID	10535371
IUPAC Name	methyl 3-(2-hydroxyethyl)benzoate
Molecular Formula	C10H12O3
Molecular Weight	180.20
XLogP	2
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	168

SMILES

COC(=O)C1=CC=CC(=C1)CCO

InChI

InChI=1S/C10H12O3/c1-13-10(12)9-4-2-3-8(7-9)5-6-11/h2-4,7,11H,5-6H2,1H3

InChIKey

RJEWIMDQAGWVGW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 153599-45-2

CID: 10535371

Formula: C10H12O3

MW: 180.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.20
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	180.078644241
Monoisotopic Mass	180.078644241
Topological Polar Surface Area	46.5 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
WBA19045	Methyl 4- (2-hydroxyethyl) benzoate
BDA31561-01	Methyl 2-[ (2-hydroxyethyl) amino]benzoate
AAA09433-01	2-Hydroxyethyl benzoate
FM67094-01	Methyl 4- (1-hydroxyethyl) benzoate
BXB28375-01	Methyl 4- (2,2-difluoro-1-hydroxyethyl) benzoate
LTB83685-01	Methyl 4- (2,2,2-trifluoro-1-hydroxyethyl) benzoate
FM67567-01	Methyl 3- (hydroxymethyl) benzoate
EFA44647-01	Methyl 4-[ (1R) -1-hydroxyethyl]benzoate
CEA68171-01	Methyl 4-[ (1S) -1-hydroxyethyl]benzoate
JBD34816-01	Lithium 2- (1-hydroxyethyl) benzoate

Catalog	Name
TRC-B115188-500MG	Methyl 2-(2-Hydroxyethyl)benzoate
GTR19276609-01	Methyl 4- (2-hydroxyethyl) benzoate
TRC-M199065-1G	Methyl 3-(2-Hydroxyethyl)benzoate
OR1061025-01	Methyl 3- (2-hydroxyethyl) benzoate
454705-01	Methyl 2- (1-amino-2-hydroxyethyl) benzoate
OR88324-01	Methyl 2-chloro-5- (2-hydroxyethyl) benzoate
TRC-M330923-1G	Methyl 2-(1-amino-2-hydroxyethyl)benzoate
OR24665-01	Methyl 4- (1-hydroxyethyl) benzoate
OR471065	Methyl 3- (1-Hydroxyethyl) benzoate
OR1093372-01	Methyl 2-hydroxy-5- (1-hydroxyethyl) benzoate