Oxetane-3-carbaldehyde

CAT: 0127-OR309108Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR309108Size:1 g

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CAS Number

1305207-52-6

MDL Number

MFCD21604173

Purity

=95%

Smiles

O=CC1COC1

Storage Conditions

Store at 2-8°C

Chemical Information

Oxetane-3-carbaldehyde

CAS Number	1305207-52-6
PubChem CID	53346603
IUPAC Name	oxetane-3-carbaldehyde
Molecular Formula	C4H6O2
Molecular Weight	86.09
XLogP	-0.7
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	6
Formal Charge	0
Complexity	56

SMILES

C1C(CO1)C=O

InChI

InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h1,4H,2-3H2

InChIKey

FYCBRGMZDWYEHI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1305207-52-6

CID: 53346603

Formula: C4H6O2

MW: 86.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	86.09
XLogP3	-0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	86.036779430
Monoisotopic Mass	86.036779430
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	56.6
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
NXB26439-01	3- (Bromomethyl) oxetane-3-carbaldehyde
JH917600	(S) -Oxetane-2-carbaldehyde
TRC-E590035-500MG	Oxetane-3-thiol
KDC23413-01	Oxetane-3-sulfonamide
DQB01377-01	3- (iodomethyl) oxetane
NCC73908-01	3- (Nitromethyl) oxetane
GAA77700	3- (Allyloxy) oxetane
CGC15849-01	3- (4-Bromophenyl) oxetane
UEC53496-01	3- (4-Bromophenoxy) oxetane
FO176404	Oxetane-3-sulfonyl chloride