2-Mesitylacetonitrile

CAT: 0127-OR1010513-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1010513-01Size:1 g

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CAS Number

34688-71-6

MDL Number

MFCD00013815

Purity

98%

Smiles

Cc1cc(C)c(CC#N)c(C)c1

Chemical Information

2,4,6-Trimethylphenylacetonitrile

CAS Number	34688-71-6
PubChem CID	520698
IUPAC Name	2-(2,4,6-trimethylphenyl)acetonitrile
Molecular Formula	C11H13N
Molecular Weight	159.23
XLogP	2.7
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	176

SMILES

CC1=CC(=C(C(=C1)C)CC#N)C

InChI

InChI=1S/C11H13N/c1-8-6-9(2)11(4-5-12)10(3)7-8/h6-7H,4H2,1-3H3

InChIKey

SDKQOGSGNPGPRN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 34688-71-6

CID: 520698

Formula: C11H13N

MW: 159.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	159.23
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	159.104799419
Monoisotopic Mass	159.104799419
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	176
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
PC1003049-01	2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
PC32719-01	2,2,2,2'-Tetrafluoroacetophenone
OR1009873-01	2,2,2,2-Ethylenedinitrilotetraethanol
PC450293-01	2,2-Difluoroethyl 2,2,2-trifluoroethyl carbonate
PC100568-01	2,2,2-Trifluoroethyl 2-cyanoacetate
PC50050-01	2'-Amino-2,2,2-trifluoroacetophenone
PC500831	2- (2,2,2-Trifluoroethoxy) benzaldehyde
PC50095	2- (2,2,2-Trifluoroethyl) naphthalene
PC4974	2,2,2-Trichloroethyl-2-fluoroacrylate
PC500825	2- (2,2,2-Trifluoroethoxy) iodobenzene

Catalog	Name
159656	2-Mesitylacetonitrile
FM71167-01	Mesitylacetonitrile
H 038-001	2'- , 2''-, 2''', 2'''', 2''''', 2''''''- Hexadeoxy- 2'-, 2'', 2''', 2'''', 2''''', 2''''''- hexafluoro- cyclic hexaadenosine monophosphate (2',2'',2''',2'''',2''''',2''''''-Hexa-F-c-hexadAMP / cFA6), sodium salt
290342-01	2,2,2-Trifluoroethyl 2,5-bis (2,2,2-trifluoroethoxy) benzoate
TRC-T790240-50MG	2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate
TRC-T790200-100MG	2,2,2-Trifluoroethyl 2,5-Bis(2,2,2-trifluoroethoxy)benzoate
022261	2,2,2-Trifluoroethyl 2-Hydroxy-5- (2,2,2-trifluoroethoxy) benzoate
D3554-34-01	2’,2’-Difluoro-2’-deoxyuridine (2’-Deoxy-2’,2’-difluorouridine)
MBS6114780-01	2',2'-Difluoro-2'-deoxyuridine (2'-Deoxy-2',2'-difluorouridine)
BLG-H038-005	2′,2”,2”’,2””,2””’,2”””-Hexa-F-c-hexadAMP