2-methoxybenzene-1,3-diol

CAT: 0127-OR1090814Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1090814Size:1 g

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CAS Number

29267-67-2

MDL Number

MFCD00017299

Purity

95%

Smiles

C1 (cccc (c1OC) O) O

Chemical Information

2-Methoxyresorcinol

2-Methoxyresorcinol is a member of phenols and a member of methoxybenzenes.

CAS Number	29267-67-2
PubChem CID	121805
IUPAC Name	2-methoxybenzene-1,3-diol
Molecular Formula	C7H8O3
Molecular Weight	140.14
XLogP	0.6
Topological Polar Surface Area	49.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	95

SMILES

COC1=C(C=CC=C1O)O

InChI

InChI=1S/C7H8O3/c1-10-7-5(8)3-2-4-6(7)9/h2-4,8-9H,1H3

InChIKey

QFYYAIBEHOEZKC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29267-67-2

CID: 121805

Formula: C7H8O3

MW: 140.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	140.14
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	140.047344113
Monoisotopic Mass	140.047344113
Topological Polar Surface Area	49.7 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	95
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
OR305005-01	4-Methoxybenzene-1,3-diol
OR305004-01	4-Methoxybenzene-1,2-diol
OR8900-01	2-Methoxybenzene-1,4-diol
OR1035606-01	5-Bromo-3-methoxybenzene-1,2-diol
OR21990	2-Ethyl-5-methoxybenzene-1,3-diol
OR1002052-01	3-Bromo-6-methoxybenzene-1,2-diol
OR350334-01	1,3-Dibromo-2-methoxybenzene
OR914523-01	1,3-Dichloro-2-methoxybenzene
OR1061005-01	1,3-Diisopropyl-2-methoxybenzene
OR1056961-01	2-Methoxybenzene-1,3-diamine

Catalog	Name
RG-M200836-01	5-Methoxybenzene-1,3-Diol
TRC-M331645-10G	2-Methoxybenzene-1,4-diol
TRC-M266448-50MG	4-methoxybenzene-1,2-diol
AN KA 1208-01	5- (2-aminoethyl) -3-methoxybenzene-1,2-diol
TRC-B471255-50MG	3-(tert-Butyl)-5-methoxybenzene-1,2-diol
TRC-B795830-100MG	2-Bromo-6-methoxybenzene-1,4-diol
JH33	4-[2- (3,5-dihydroxyphenyl) ethenyl]-2-methoxybenzene-1,3-diol
TRC-B644525-2.5MG	4-(tert-Butyl)-5-methoxybenzene-1,2-diol
TRC-B323650-25MG	5-(tert-Butyl)-4-methoxybenzene-1,3-diol
TRC-B789120-100MG	4-(tert-Butyl)-6-methoxybenzene-1,3-diol