Methyl 3-hydroxy-2- (2-methylallyl) benzoate

CAT: 0127-OR1063459-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1063459-01Size:50 mg

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CAS Number

136955-00-5

MDL Number

MFCD24715213

Purity

98%

Smiles

O=C(OC)C1=CC=CC(O)=C1CC(C)=C

Chemical Information

Methyl 3-hydroxy-2-(2-methylallyl)benzoate

CAS Number	136955-00-5
PubChem CID	15137057
IUPAC Name	methyl 3-hydroxy-2-(2-methylprop-2-enyl)benzoate
Molecular Formula	C12H14O3
Molecular Weight	206.24
XLogP	3.1
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	247

SMILES

CC(=C)CC1=C(C=CC=C1O)C(=O)OC

InChI

InChI=1S/C12H14O3/c1-8(2)7-10-9(12(14)15-3)5-4-6-11(10)13/h4-6,13H,1,7H2,2-3H3

InChIKey

XAZRINABCNXFIL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 136955-00-5

CID: 15137057

Formula: C12H14O3

MW: 206.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	206.24
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	206.094294304
Monoisotopic Mass	206.094294304
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	247
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
OR1061320-01	Methyl 3-hydroxy-4- (2-methylallyl) benzoate
PC53615	Methyl 3,5-difluoro-2-hydroxy-benzoate
OR1034846-01	Methyl 2-hydroxy-5- (methoxymethoxy) benzoate
PC100931-01	Methyl 2-hydroxy-4- (trifluoromethyl) benzoate
PC100244-01	Methyl 2-hydroxy-5- (trifluoromethyl) benzoate
PC99030	Methyl 2-hydroxy-5- (trifluoromethoxy) benzoate
OR315329-01	Ethyl 4-hydroxy-2-methyl benzoate
OR82190-01	Methyl 2-hydroxy-5- (hydroxymethyl) benzoate
PC909779-01	Methyl 4-hydroxy-2- (trifluoromethyl) benzoate
PC520316	Methyl 5- (difluoromethyl) -2-hydroxy-benzoate

Catalog	Name
AAA82953-01	2-Methylallyl benzoate
AL BF 1431-01	Methyl 2-hydroxy-3- (trifluoromethyl) benzoate
AL BF 1429-01	Methyl 2-hydroxy-3- (trifluoromethoxy) benzoate
sc-493490	Methyl 3-[ (2-hydroxy-3-methoxybenzyl) amino]benzoate
TBZ1655	Methyl3-(2-hydroxy-3-methyl-3-butenyl)-4-hydroxy-benzoate
TRC-M258635-500MG	Methyl 4-Acetamido-2-hydroxy-3-(2-oxoethyl)benzoate
IHA43063-01	Methyl 2-hydroxy-5- (hydroxymethyl) benzoate
AL BF 1424-01	Methyl 2-hydroxy-4- (trifluoromethyl) benzoate
AL BF 0338-01	Methyl 2-hydroxy-5- (trifluoromethoxy) benzoate
XMB59066-01	Methyl 3- (1-hydroxy-2-methoxy-2-oxoethyl) benzoate