4-Morpholin-4-ylbenzoic acid

CAT: 0127-OR23266Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR23266Size:100 mg

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CAS Number

7470-38-4

MDL Number

MFCD00588379

Purity

=95%

Smiles

OC(=O)c1ccc(cc1)N2CCOCC2

Chemical Information

4-(Morpholin-4-yl)benzoic acid

4-morpholinobenzoic acid is a member of morpholines.

CAS Number	7470-38-4
PubChem CID	345278
IUPAC Name	4-morpholin-4-ylbenzoic acid
Molecular Formula	C11H13NO3
Molecular Weight	207.23
XLogP	0.9
Topological Polar Surface Area	49.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	218

SMILES

C1COCCN1C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C11H13NO3/c13-11(14)9-1-3-10(4-2-9)12-5-7-15-8-6-12/h1-4H,5-8H2,(H,13,14)

InChIKey

XVAJKPNTGSKZSQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7470-38-4

CID: 345278

Formula: C11H13NO3

MW: 207.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	207.23
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	207.08954328
Monoisotopic Mass	207.08954328
Topological Polar Surface Area	49.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	218
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
OR2125	4-Pyridazin-3-ylbenzoic acid
OR1410-01	4-Pyridin-3-ylbenzoic acid
OR2126	4-Pyrazin-2-ylbenzoic acid
OR1011665-01	4-Piperazin-1-Ylbenzoic Acid Dihydrochloride
OR8467	3-Nitro-4-piperidin-1-ylbenzoic acid
OR7901	3-Nitro-4-pyrrolidin-1-ylbenzoic acid
OR2524	4- (Methylsulphonyl) -3-piperidin-1-ylbenzoic acid
PC300815	2,5-Difluoro-4-piperidin-1-ylbenzoic acid
OR7242-01	4- (Morpholin-4-yl) benzeneboronic acid
OR1021620	4- (Morpholin-4-yl) -4-oxobutanoic acid

Catalog	Name
sc-341278	2-amino-5-morpholin-4-ylbenzoic acid
sc-277949	5- (aminosulfonyl) -2-morpholin-4-ylbenzoic acid
sc-350472	5-[ (diethylamino) sulfonyl]-2-morpholin-4-ylbenzoic acid
sc-350478A	5-[ (dimethylamino) sulfonyl]-2-morpholin-4-ylbenzoic acid
sc-350306	5- (morpholin-4-ylsulfonyl) -2-pyrrolidin-1-ylbenzoic acid
sc-277643	4-Piperidin-1-ylbenzoic acid
sc-261986A	4-Fur-2-ylbenzoic acid
sc-262102	4-Morpholin-4-ylbenzeneboronic acid
AL BO 1531-01	4-morpholin-4-ylbutanoic acid
sc-286317	Morpholin-4-ylacetic acid