3,3,3-Triphenylpropionic Acid

CAT: 0926-AAA90091-01Size: 0.25 gDry Ice: NoHazardous: No

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CAT#:0926-AAA90091-01Size:0.25 g

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CAS Number

900-91-4

MDL Number

MFCD00002713

Smiles

C1=CC=C (C=C1) C (CC (=O) O) (C2=CC=CC=C2) C3=CC=CC=C3

Molecular Formula

C21H18O2

Molecular Weight

302.37 g/mol

Controlled

Chemical Information

3,3,3-Triphenylpropionic Acid

CAS Number	900-91-4
PubChem CID	136696
IUPAC Name	3,3,3-triphenylpropanoic acid
Molecular Formula	C21H18O2
Molecular Weight	302.4
XLogP	4.8
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	23
Formal Charge	0
Complexity	326

SMILES

C1=CC=C(C=C1)C(CC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H18O2/c22-20(23)16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H,22,23)

InChIKey

XMSJLUKCGWQAHO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 900-91-4

CID: 136696

Formula: C21H18O2

MW: 302.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	302.4
XLogP3	4.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	302.130679813
Monoisotopic Mass	302.130679813
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	326
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
RLC35226-01	3,3-Dicyclobutylpropanoic acid
FD79195-01	3,3-Difluoropentanedioic Acid
FD33667-01	3,3-Diphenylpropionic acid
IWC69923-01	3,3-Difluoropentanoic acid
FAA96183-01	3,3-oxydipropanoic acid
CAA36661-01	3,3-Difluorobutanoic acid
DAA17774-01	3,3-Dimethylpentanoic acid
KAC89705	3,3-difluorocyclopentanecarboxylic acid
FD33699-01	3,3-Dimethylglutaric acid
ZIB66920-01	3,3-Difluorocyclohexanecarboxylic Acid

Catalog	Name
sc-231955	3,3,3-Triphenylpropionic acid
OR1074931-01	3,3',3''-Phosphinetriyltripropanoic acid
OR1072752-01	3,3',3''-Phosphoryltripropanoic acid
OR1026809-01	3,3',3''-Nitrilotripropanoic Acid
2516-99-6-01	3,3,3-Trifluoropropionic acid
JH920405	3,3',3''-phosphinylidynetrisPropanoic acid
HY-W127810-01	3,3',3''-Nitrilotripropionic Acid
PC7820A-01	3,3,3-Trifluoropropanoic acid
OR1010724-01	3,3,3-Triphenylpropanoic Acid
C7173-1000	3,3-Dimethylglutaric acid