2,4-Dihydroxy-3-methylbenzoic acid

CAT: 0926-FD66514-01Size: 0.25 gDry Ice: NoHazardous: No

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CAT#:0926-FD66514-01Size:0.25 g

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CAS Number

4707-49-7

MDL Number

MFCD00156973

Smiles

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

Molecular Formula

C8H8O4

Molecular Weight

168.15 g/mol

Controlled

Chemical Information

3-Methyl-beta-resorcylic acid

CAS Number	4707-49-7
PubChem CID	78436
IUPAC Name	2,4-dihydroxy-3-methylbenzoic acid
Molecular Formula	C8H8O4
Molecular Weight	168.15
XLogP	1.7
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	180

SMILES

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

InChI

InChI=1S/C8H8O4/c1-4-6(9)3-2-5(7(4)10)8(11)12/h2-3,9-10H,1H3,(H,11,12)

InChIKey

KZCSDJKWEYGAIX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4707-49-7

CID: 78436

Formula: C8H8O4

MW: 168.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.15
XLogP3	1.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	168.04225873
Monoisotopic Mass	168.04225873
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	180
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
FD34027-01	3,5-Dihydroxy-4-methylbenzoic acid
CFA53140-01	4,5-Dihydroxy-2-methylbenzoic acid
FD66662-01	2,4-Dihydroxy-5-methylbenzoic acid
FD70792-01	2,6-Dihydroxy-4-methylbenzoic acid
FD66048-01	2,6-Dihydroxy-4-methylbenzoic acid copper
FD70873-01	2,6-Dihydroxy-4-methylbenzoic acid potassium
FD67717-01	3,5-Dihydroxy-4-methylbenzoic acid methyl ester
FD104884	2,4-difluoro-3-methylbenzoic Acid
EAC07362-01	2,3-Dichloro-4-methylbenzoic acid
FD66899-01	2,4-Dimethoxy-3-methylbenzoic acid

Catalog	Name
sc-343378	2,3-dihydroxy-4-methylbenzoic acid
TRC-D494963-500MG	2,4-Dihydroxy-3-methylbenzoic Acid
OR93629	3,4-Dihydroxy-2-methylbenzoic acid
M32036-01	3,5-Dihydroxy-4-methylbenzoic acid
OR1027591-01	2,4-Dihydroxy-6-Methylbenzoic Acid
OR15081	2,6-Dihydroxy-4-methylbenzoic acid
TRC-D494965-500MG	2,4-Dihydroxy-5-methylbenzoic Acid
sc-322032	2,3-Dihydroxy-5-methylbenzoic acid
232308-01	3,5-Dihydroxy-4-methylbenzoic acid 99+%
sc-226301	3,5-Dihydroxy-4-methylbenzoic acid hemihydrate