2,4-Dimethylphenol-d10

CAT: 0024-sc-498659Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-498659Size:10 mg

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CAS Number

1219794-86-1

Chemical Information

2,4-Dimethylphenol-d10

See also: 2,4-Dimethylphenol (annotation moved to).

CAS Number	1219794-86-1
PubChem CID	12231676
IUPAC Name	1,2,5-trideuterio-3-deuteriooxy-4,6-bis(trideuteriomethyl)benzene
Molecular Formula	C8H10O
Molecular Weight	132.23
XLogP	2.3
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	90

SMILES

[2H]C1=C(C(=C(C(=C1C([2H])([2H])[2H])[2H])C([2H])([2H])[2H])O[2H])[2H]

InChI

InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3/i1D3,2D3,3D,4D,5D/hD

InChIKey

KUFFULVDNCHOFZ-WOMAJQTNSA-N

Chemical Structure

2D Structure

CAS: 1219794-86-1

CID: 12231676

Formula: C8H10O

MW: 132.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	132.23
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	132.135932398
Monoisotopic Mass	132.135932398
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	90.6
Isotope Atom Count	10
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
sc-230989	2,4-Dimethylphenol
sc-487859	4,4'-Methylenebis (2,6-dimethylphenol)
sc-256081A	2-Bromo-4,6-dimethylphenol
sc-226474D	4-Amino-2,5-dimethylphenol
sc-261777	4-Bromo-2,5-dimethylphenol
sc-226474	4-Amino-2,5-dimethylphenol
sc-226474A	4-Amino-2,5-dimethylphenol
sc-267575	4-Iodo-2,5-dimethylphenol
sc-348186A	4- (aminomethyl) -2,6-dimethylphenol
sc-261777A	4-Bromo-2,5-dimethylphenol

Catalog	Name
159925	2,4-Dimethylphenol-d10
OR61605-01	2,4-Dimethylphenol
CS-T-101477	2,4-Dimethylphenol-d9
420300-01	2,4-Dimethylphenol-13C8
420299-01	2,4-Dimethylphenol discontinued
D476517	2,4-Dimethylphenol-13C6
ZCA57181	3-bromo-2,4-dimethylphenol
BAA12406-01	4-Chloro-2,5-dimethylphenol
CAA43191	4-Methoxy-2,6-dimethylphenol
JH218640	4-Fluoro-2,6-dimethylphenol