Veratrole 98% For Synthesis

CAT: 1507-02827 00500Size: 500 mLDry Ice: NoHazardous: No

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CAT#:1507-02827 00500Size:500 mL

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CAS Number

91-16-7

Chemical Information

Veratrole

Veratrole is a dimethoxybenzene with the methoxy groups at ortho-positions. It has a role as a plant metabolite.

CAS Number	91-16-7
PubChem CID	7043
IUPAC Name	1,2-dimethoxybenzene
Molecular Formula	C8H10O2
Molecular Weight	138.16
XLogP	1.6
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	81

SMILES

COC1=CC=CC=C1OC

InChI

InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3

InChIKey

ABDKAPXRBAPSQN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 91-16-7

CID: 7043

Formula: C8H10O2

MW: 138.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	138.16
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	138.068079557
Monoisotopic Mass	138.068079557
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	81.3
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

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