Acetanilide-13C6

CAT: 0024-sc-210738Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-210738Size:100 mg

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CAS Number

201741-03-9

Chemical Information

Acetanilide-13C6

See also: Acetanilide (annotation moved to).

CAS Number	201741-03-9
PubChem CID	12199320
IUPAC Name	N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetamide
Molecular Formula	C8H9NO
Molecular Weight	141.12
XLogP	1.2
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	116

SMILES

CC(=O)N[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1

InChI

InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)/i2+1,3+1,4+1,5+1,6+1,8+1

InChIKey

FZERHIULMFGESH-OLGKHRKTSA-N

Chemical Structure

2D Structure

CAS: 201741-03-9

CID: 12199320

Formula: C8H9NO

MW: 141.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	141.12
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	141.08854292
Monoisotopic Mass	141.08854292
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	116
Isotope Atom Count	6
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-255728C	Acetanilide
sc-255728B	Acetanilide
sc-255728	Acetanilide
sc-255728A	Acetanilide
sc-210739	Acetanilide-d6
sc-260319	2'- (Trifluoromethoxy) acetanilide
sc-261201	3'- (Trifluoromethyl) acetanilide
sc-256848	4'- (Trifluoromethoxy) acetanilide
sc-261201A	3'- (Trifluoromethyl) acetanilide
sc-277777	4'- (Methylsulfonyl) acetanilide