2,4-Dimethoxytoluene

CAT: 0024-sc-206523Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-206523Size:1 g

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CAS Number

38064-90-3

Chemical Information

Benzene, 2,4-dimethoxy-1-methyl-

CAS Number	38064-90-3
PubChem CID	96403
IUPAC Name	2,4-dimethoxy-1-methylbenzene
Molecular Formula	C9H12O2
Molecular Weight	152.19
XLogP	2.8
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	114

SMILES

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

InChI

InChI=1S/C9H12O2/c1-7-4-5-8(10-2)6-9(7)11-3/h4-6H,1-3H3

InChIKey

OSNMRWURXNWCGA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 38064-90-3

CID: 96403

Formula: C9H12O2

MW: 152.19

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	152.19
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	152.083729621
Monoisotopic Mass	152.083729621
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	114
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