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4- (3-Oxomorpholino) benzaldehyde

CAT: 0127-OR1063413-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1063413-01Size:50 mg
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CAS Number
1260831-28-4
MDL Number
MFCD15527767
Purity
98%
Smiles
O=CC1=CC=C(N2C(COCC2)=O)C=C1

Chemical Information

4-(3-Oxomorpholino)benzaldehyde
CAS Number1260831-28-4
PubChem CID84040410
IUPAC Name4-(3-oxomorpholin-4-yl)benzaldehyde
Molecular FormulaC11H11NO3
Molecular Weight205.21
XLogP0.4
Topological Polar Surface Area46.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity246
SMILES
C1COCC(=O)N1C2=CC=C(C=C2)C=O
InChI
InChI=1S/C11H11NO3/c13-7-9-1-3-10(4-2-9)12-5-6-15-8-11(12)14/h1-4,7H,5-6,8H2
InChIKey
AUWLULXFCNLVFN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(3-Oxomorpholino)benzaldehyde
CAS: 1260831-28-4
CID: 84040410
Formula: C11H11NO3
MW: 205.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight205.21
XLogP30.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass205.07389321
Monoisotopic Mass205.07389321
Topological Polar Surface Area46.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity246
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
ZAA08309-013- (Hexyloxy) benzaldehyde
RVB78007-013- (Cyclobutylmethoxy) benzaldehyde
EEA50827-013- (Phenoxymethyl) benzaldehyde
FM54704-013- (Methylthio) benzaldehyde
UQB44659-013- (cyclohexylmethoxy) benzaldehyde
PNA06276-013- (Methylamino) benzaldehyde
273796-013- (Difluoromethyl) benzaldehyde
MBS3617161-013-(Trifluoromethyl)benzaldehyde
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