2-Acetoxy-3-methoxybenzoic acid

CAT: 0926-FA70692-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-FA70692-01Size:1 g

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CAS Number

2554-82-7

Synonyms

2-Acetylvanillic acid

MDL Number

MFCD03424353

Smiles

CC (=O) OC1=C (C=CC=C1OC) C (=O) O

Molecular Formula

C10H10O5

Molecular Weight

210.18 g/mol

Controlled

Chemical Information

2-(Acetyloxy)-3-methoxybenzoic acid

CAS Number	2554-82-7
PubChem CID	23251957
IUPAC Name	2-acetyloxy-3-methoxybenzoic acid
Molecular Formula	C10H10O5
Molecular Weight	210.18
XLogP	1.5
Topological Polar Surface Area	72.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	250

SMILES

CC(=O)OC1=C(C=CC=C1OC)C(=O)O

InChI

InChI=1S/C10H10O5/c1-6(11)15-9-7(10(12)13)4-3-5-8(9)14-2/h3-5H,1-2H3,(H,12,13)

InChIKey

GOBRPXJFIGHDQG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2554-82-7

CID: 23251957

Formula: C10H10O5

MW: 210.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	210.18
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	210.05282342
Monoisotopic Mass	210.05282342
Topological Polar Surface Area	72.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	250
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
FA16975-01	3-Acetoxy-2-methylbenzoic acid
FEB95144-01	2- (Difluoromethoxy) -3-methoxybenzoic acid
FA14515-01	2-Amino-3-methoxybenzoic acid
FM00504-01	2-Methoxybenzoic acid
ZGB26901	2-hydroxy-3-methoxybenzoic acid, 2-hydroxy-3-methoxybenzoic acid, copper salt
FH71354-01	2-Hydroxy-3-methoxybenzoic acid
FM37687-01	3-Methoxybenzoic acid
FH36366-01	3-Hydroxy-2-methoxybenzoic acid
FF70112-01	3-Fluoro-2-methoxybenzoic acid
NDA37729	2-Bromo-3-methoxybenzoic acid

Catalog	Name
OR1070665-01	4-Acetoxy-3-methoxybenzoic acid
A05260-01	4-Acetoxy-3-methoxybenzoic acid, 97%
JH146662	3-Acetoxy-2-phenylpropanoic Acid
sc-206615	3-Acetoxy-2-methylbenzoic Acid
HY-N1393-01	2-Methoxybenzoic acid
TRC-B700505-100MG	2-Bromo-3-methoxybenzoic Acid
HY-59377-01	2-Amino-3-methoxybenzoic acid
Fr213059-01	3-FLUORO-2-METHOXYBENZOIC ACID
279742-01	3-Hydroxyl-2-methoxybenzoic acid
270281-01	3-Chloro-2-methoxybenzoic acid