(Formyloxy) acetonitrile

CAT: 0024-sc-235217Size: 5 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-235217Size:5 mL

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CAS Number

150760-95-5

Chemical Information

(Formyloxy)acetonitrile

CAS Number	150760-95-5
PubChem CID	4205685
IUPAC Name	cyanomethyl formate
Molecular Formula	C3H3NO2
Molecular Weight	85.06
XLogP	-0.1
Topological Polar Surface Area	50.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	6
Formal Charge	0
Complexity	80

SMILES

C(C#N)OC=O

InChI

InChI=1S/C3H3NO2/c4-1-2-6-3-5/h3H,2H2

InChIKey

ZFLAEHBSVFWEHW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 150760-95-5

CID: 4205685

Formula: C3H3NO2

MW: 85.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	85.06
XLogP3	-0.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	85.016378338
Monoisotopic Mass	85.016378338
Topological Polar Surface Area	50.1 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	80
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
sc-216147	17β-Carboxy-17α-formyloxy Dexamethasone
sc-207252	Acetonitrile
sc-487150	5-Formamido-1-[2- (formyloxy) ethyl]pyrazole
sc-490997	7-Formyloxy Glycochenodeoxycholic Acid-d5 Ethyl Ester
sc-228597	(Methylsulfonyl) acetonitrile
sc-257923	Nivalenol in acetonitrile
sc-239786	(Dimethylamino) acetonitrile
sc-227199	Acetonitrile-15N
sc-257059A	Acetonitrile-d3
sc-326829	(Diisopropylamino) acetonitrile

Catalog	Name
AAD08045-01	3-[3- (Formyloxy) -2,2-bis[ (formyloxy) methyl]propoxy]-2,2-bis[ (formyloxy) methyl]propyl formate
RM-D232005-01	Deflazacort 21-Formyloxy Analog
FC19744-01	17b-Carboxy-17a-formyloxy dexamethasone
AR-D01600-01	Dexamethasone 17-Formyloxy-17-Acid
TRC-C178430-10MG	17Beta-Carboxy-17Alpha-formyloxy Dexamethasone
TRC-B685016-100MG	9Alpha-Bromo-11-(formyloxy)-16Alpha-methylprednisolone
TRC-A163890-50ML	Acetonitrile
TRC-F700932-1MG	7-Formyloxy Glycochenodeoxycholic Acid-d5 Ethyl Ester