3-Anthracen-9-yl-propionic acid

CAT: 0024-sc-283678Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-283678Size:1 g

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CAS Number

41034-83-7

Chemical Information

9-Anthracenepropionic acid

CAS Number	41034-83-7
PubChem CID	170457
IUPAC Name	3-anthracen-9-ylpropanoic acid
Molecular Formula	C17H14O2
Molecular Weight	250.29
XLogP	4.5
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	303

SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CCC(=O)O

InChI

InChI=1S/C17H14O2/c18-17(19)10-9-16-14-7-3-1-5-12(14)11-13-6-2-4-8-15(13)16/h1-8,11H,9-10H2,(H,18,19)

InChIKey

BDGMYCZUEIGHJH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 41034-83-7

CID: 170457

Formula: C17H14O2

MW: 250.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	250.29
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	250.099379685
Monoisotopic Mass	250.099379685
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	303
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-312276	3-Acridin-9-yl-propionic acid
sc-487215	2- (9-Oxoxanthen-2-yl) propionic Acid
sc-260564	3- (Pyrrol-3-yl) -propionic acid
sc-260564A	3- (Pyrrol-3-yl) -propionic acid
sc-276052	3-Benzothiazol-2-yl-propionic acid
sc-313428	3-Morpholin-4-yl-propionic acid
sc-283843	3-Piperidin-4-yl-propionic acid
sc-312872	3-Chroman-6-yl-propionic acid
sc-283843A	3-Piperidin-4-yl-propionic acid
sc-205114A	3-Pyrimidin-2-yl-Propionic Acid

Catalog	Name
OR1102477-01	3- (Anthracen-9-yl) propanoic acid
OR1042843	(E) -3- (Anthracen-9-yl) acrylic acid
AL BO 2337-01	2-anthracen-9-yl-2-oxoacetic acid
OR1101443-01	(R) -2-Amino-3- (Anthracen-9-Yl) Propanoic Acid
FBA08733-01	2- (9-Oxoxanthen-2-yl) propionic acid
OR1025371-01	(S) -2- ((((9H-Fluoren-9-Yl) Methoxy) Carbonyl) Amino) -3- (Anthracen-9-Yl) Propanoic Acid
OR96662-01	(10- ([1,1'-Biphenyl]-4-yl) anthracen-9-yl) boronic acid
OR1102439-01	(10- ([1,1':3',1''-Terphenyl]-5'-yl) anthracen-9-yl) boronic acid
XJA12824-01	3-Indazol-1-yl-propionic acid
424001-01	3-Benzoimidazol-1-yl-propionic acid