Cinnamaldoxime

CAT: 0127-OR0305Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR0305Size:1 g

Selected

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

Quick Request Actions

CAS Number

13372-81-1

Synonyms

3-Phenylacrylaldehyde oxime, Cinnamaldehyde oxime

MDL Number

MFCD00019969

Purity

=95%

Smiles

O\N=C\C=C/c1ccccc1

Additionnal Information

Mixture of cis/trans isomers

Chemical Information

Cinnamaldehyde oxime

CAS Number	13372-81-1
PubChem CID	9561350
IUPAC Name	(NE)-N-[(E)-3-phenylprop-2-enylidene]hydroxylamine
Molecular Formula	C9H9NO
Molecular Weight	147.17
XLogP	2.2
Topological Polar Surface Area	32.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	146

SMILES

C1=CC=C(C=C1)/C=C/C=N/O

InChI

InChI=1S/C9H9NO/c11-10-8-4-7-9-5-2-1-3-6-9/h1-8,11H/b7-4+,10-8+

InChIKey

RUQDOYIAKHIMAN-DAAQNPAKSA-N

Chemical Structure

2D Structure

CAS: 13372-81-1

CID: 9561350

Formula: C9H9NO

MW: 147.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	147.17
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	147.068413911
Monoisotopic Mass	147.068413911
Topological Polar Surface Area	32.6 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	146
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-268720	Cinnamaldoxime, (E) + (Z)