Methyl 4-hydroxy-3-methoxyphenylacetate

CAT: 0926-QAA96480Size: 2.5 gDry Ice: NoHazardous: No

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CAT#:0926-QAA96480Size:2.5 g

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CAS Number

15964-80-4

MDL Number

MFCD00127727

Smiles

COC1=C (C=CC (=C1) CC (=O) OC) O

Molecular Formula

C10H12O4

Molecular Weight

196.2 g/mol

Controlled

Chemical Information

Methyl 4-hydroxy-3-methoxyphenylacetate

CAS Number	15964-80-4
PubChem CID	85214
IUPAC Name	methyl 2-(4-hydroxy-3-methoxyphenyl)acetate
Molecular Formula	C10H12O4
Molecular Weight	196.20
XLogP	0.7
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	193

SMILES

COC1=C(C=CC(=C1)CC(=O)OC)O

InChI

InChI=1S/C10H12O4/c1-13-9-5-7(3-4-8(9)11)6-10(12)14-2/h3-5,11H,6H2,1-2H3

InChIKey

JJJSFAGPWHEUBT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15964-80-4

CID: 85214

Formula: C10H12O4

MW: 196.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.20
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	196.07355886
Monoisotopic Mass	196.07355886
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	193
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
FE37405-01	Ethyl 4-methoxyphenylacetate
FH10760-01	4-Hydroxy-3-methoxyphenylacetone
FM41915-01	Methyl 4-hydroxy-3-iodobenzoate
FM71302-01	Methyl 4-hydroxy-3-nitrobenzoate
FM71199-01	Methyl 3-hydroxy-4-nitrobenzoate
FM33217-01	Methyl 4-hydroxy-3-methoxycinnamate
FM38416-01	Methyl 3-hydroxy-4-methylbenzoate
FAA32642-01	4-Hydroxy-3-methyl-benzophenone
FH45221-01	4-Hydroxy-5-methyl-3-furanone
FM25439-01	3-O-Methyl 4-hydroxy estradiol

Catalog	Name
OR303108-01	Methyl 4-hydroxy-2-methoxyphenylacetate
TRC-M338493-2.5G	Methyl 4-Methoxyphenylacetate
GTR19253124-01	Methyl 3-methoxyphenylacetate
PC99898-01	Methyl 4-fluoro-3-methoxyphenylacetate
sc-486427	Methyl 2-Methoxyphenylacetate
M22048-01	Methyl p-methoxyphenylacetate 97%
M22051-01	Methyl m-methoxyphenylacetate 98%
OR61181-01	Methyl 2-bromo-5-methoxyphenylacetate
OR471046	Methyl 3-Hydroxy-4,4-dimethylpentanoate
283450-01	Methyl 3-hydroxy-4-methylbenzoate