Ethyl 3-hydroxy-4-methoxybenzoate

CAT: 0127-OR957711Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR957711Size:1 g

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CAS Number

148527-38-2

MDL Number

MFCD06204303

Purity

95%

Smiles

CCOC(=O)c1ccc(OC)c(O)c1

Chemical Information

Ethyl 3-hydroxy-4-methoxybenzoate

CAS Number	148527-38-2
PubChem CID	15480330
IUPAC Name	ethyl 3-hydroxy-4-methoxybenzoate
Molecular Formula	C10H12O4
Molecular Weight	196.20
XLogP	2.1
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

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

InChI

InChI=1S/C10H12O4/c1-3-14-10(12)7-4-5-9(13-2)8(11)6-7/h4-6,11H,3H2,1-2H3

InChIKey

DCBPAZQCHKARFB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 148527-38-2

CID: 15480330

Formula: C10H12O4

MW: 196.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.20
XLogP3	2.1
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
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Catalog	Name
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