2,3,6-Trimethylanisole

CAT: 0127-OR1009971-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1009971-01Size:5 g

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CAS Number

21573-36-4

MDL Number

MFCD22549359

Purity

98%

Smiles

COc1c(C)ccc(C)c1C

Chemical Information

2-Methoxy-1,3,4-trimethylbenzene

CAS Number	21573-36-4
PubChem CID	591604
IUPAC Name	2-methoxy-1,3,4-trimethylbenzene
Molecular Formula	C10H14O
Molecular Weight	150.22
XLogP	3
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	122

SMILES

CC1=C(C(=C(C=C1)C)OC)C

InChI

InChI=1S/C10H14O/c1-7-5-6-8(2)10(11-4)9(7)3/h5-6H,1-4H3

InChIKey

MIOQAXCZXWHELT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21573-36-4

CID: 591604

Formula: C10H14O

MW: 150.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	150.22
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	150.104465066
Monoisotopic Mass	150.104465066
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	122
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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