4- (Morpholine-4-carbonyl) benzaldehyde

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CAT#:0024-sc-289595ASize:1 g

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CAS Number

58287-80-2

Chemical Information

4-(Morpholine-4-carbonyl)benzaldehyde

CAS Number	58287-80-2
PubChem CID	20569837
IUPAC Name	4-(morpholine-4-carbonyl)benzaldehyde
Molecular Formula	C12H13NO3
Molecular Weight	219.24
XLogP	0.5
Topological Polar Surface Area	46.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	253

SMILES

C1COCCN1C(=O)C2=CC=C(C=C2)C=O

InChI

InChI=1S/C12H13NO3/c14-9-10-1-3-11(4-2-10)12(15)13-5-7-16-8-6-13/h1-4,9H,5-8H2

InChIKey

WVDVJQSVTBHGQL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 58287-80-2

CID: 20569837

Formula: C12H13NO3

MW: 219.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	219.24
XLogP3	0.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	219.08954328
Monoisotopic Mass	219.08954328
Topological Polar Surface Area	46.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	253
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-301578	Potassium 4- (morpholine-4-carbonyl) phenyltrifluoroborate
sc-289622A	4- (Pyrrolidine-1-carbonyl) benzaldehyde
sc-289622	4- (Pyrrolidine-1-carbonyl) benzaldehyde
sc-336232	4-[ (Morpholine-4-carbonyl) -amino]-benzenesulfonyl chloride
sc-299404A	((4-Bromo-3-methylphenyl) carbonyl) morpholine
sc-481283	Potassium 3- (morpholine-4-carbonyl) phenyltrifluoroborate
sc-299404	((4-Bromo-3-methylphenyl) carbonyl) morpholine
sc-298164	2- (Morpholine-4-carbonyl) -4-fluoro-1-bromobenzene
sc-232292	4- (Morpholine-4-carbonyl) phenylboronic acid pinacol ester
sc-289040A	3-Chloro-4- (morpholine-4-carbonyl) phenylboronic acid

Catalog	Name
OR1073549-01	4- (Morpholine-4-carbonyl) benzaldehyde
232669-01	4- (Morpholine-4-carbonyl) benzaldehyde 99+% (GC)
MJB50024	2- (Morpholine-4-sulfonyl) benzaldehyde
FDA02014-01	4- (Piperidine-1-carbonyl) benzaldehyde
288180-01	4- (Pyrrolidine-1-carbonyl) benzaldehyde
TRC-B119743-100MG	Benzaldehyde-(carbonyl-13C)
442268-01	Benzaldehyde- (carbonyl-13C)
232692-01	4- (Pyrrolidine-1-carbonyl) benzaldehyde ≥97% (HPLC)
OR1078434-01	2- (Piperidine-1-carbonyl) benzaldehyde
047535-01	4-Chloro Benzaldehyde (p-Chloro Benzaldehyde)