TUG-891 500mg

CAT: 0628-A18335-500Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0628-A18335-500Size:500 mg

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

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CAS Number

1374516-07-0

Chemical Information

Tug-891

CAS Number	1374516-07-0
PubChem CID	57522038
IUPAC Name	3-[4-[[5-fluoro-2-(4-methylphenyl)phenyl]methoxy]phenyl]propanoic acid
Molecular Formula	C23H21FO3
Molecular Weight	364.4
XLogP	5.2
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	27
Formal Charge	0
Complexity	453

SMILES

CC1=CC=C(C=C1)C2=C(C=C(C=C2)F)COC3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C23H21FO3/c1-16-2-7-18(8-3-16)22-12-9-20(24)14-19(22)15-27-21-10-4-17(5-11-21)6-13-23(25)26/h2-5,7-12,14H,6,13,15H2,1H3,(H,25,26)

InChIKey

LPGBXHWIQNZEJB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1374516-07-0

CID: 57522038

Formula: C23H21FO3

MW: 364.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	364.4
XLogP3	5.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	364.14747269
Monoisotopic Mass	364.14747269
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	453
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