Fast Yellow

CAT: 0926-FF40348-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0926-FF40348-01Size:25 g

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CAS Number

2512-29-0

MDL Number

MFCD00078234

Smiles

C\C (=C (/N=Nc1ccc (C) cc1[N+] (=O) [O-]) \C (=O) Nc2ccccc2) \O

Molecular Formula

C17H16N4O4

Molecular Weight

340.33 g/mol

Controlled

Chemical Information

C.I. Pigment Yellow 1

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CAS Number	2512-29-0
PubChem CID	221491
IUPAC Name	2-[(4-methyl-2-nitrophenyl)diazenyl]-3-oxo-N-phenylbutanamide
Molecular Formula	C17H16N4O4
Molecular Weight	340.33
XLogP	3.7
Topological Polar Surface Area	117
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	25
Formal Charge	0
Complexity	525

SMILES

CC1=CC(=C(C=C1)N=NC(C(=O)C)C(=O)NC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O4/c1-11-8-9-14(15(10-11)21(24)25)19-20-16(12(2)22)17(23)18-13-6-4-3-5-7-13/h3-10,16H,1-2H3,(H,18,23)

InChIKey

MFYSUUPKMDJYPF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2512-29-0

CID: 221491

Formula: C17H16N4O4

MW: 340.33

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	340.33
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	340.11715500
Monoisotopic Mass	340.11715500
Topological Polar Surface Area	117 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	525
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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