Gyromitrin

CAT: 0926-RAA56802-01Size: 0.005 gDry Ice: NoHazardous: No

1 / 1

CAT#:0926-RAA56802-01Size:0.005 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

16568-02-8

Smiles

CC=NN (C) C=O

Molecular Formula

C4H8N2O

Molecular Weight

100.12 g/mol

Controlled

Chemical Information

Gyromitrin

Gyromitrin can cause cancer according to an independent committee of scientific and health experts.

CAS Number	16568-02-8
PubChem CID	9548611
IUPAC Name	N-[(E)-ethylideneamino]-N-methylformamide
Molecular Formula	C4H8N2O
Molecular Weight	100.12
XLogP	-0.3
Topological Polar Surface Area	32.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	7
Formal Charge	0
Complexity	79

SMILES

C/C=N/N(C)C=O

InChI

InChI=1S/C4H8N2O/c1-3-5-6(2)4-7/h3-4H,1-2H3/b5-3+

InChIKey

IMAGWKUTFZRWSB-HWKANZROSA-N

Chemical Structure

2D Structure

CAS: 16568-02-8

CID: 9548611

Formula: C4H8N2O

MW: 100.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	100.12
XLogP3	-0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	100.063662883
Monoisotopic Mass	100.063662883
Topological Polar Surface Area	32.7 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	79.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TRC-G931900-1G	Gyromitrin