2,2-Diphenylhexanoic acid

CAT: 0926-CAA90260-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-CAA90260-01Size:50 mg

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CAS Number

2902-60-5

MDL Number

MFCD30581078

Smiles

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

Molecular Formula

C18H20O2

Molecular Weight

268.3 g/mol

Controlled

Chemical Information

2,2-Diphenylhexanoic acid

CAS Number	2902-60-5
PubChem CID	263120
IUPAC Name	2,2-diphenylhexanoic acid
Molecular Formula	C18H20O2
Molecular Weight	268.3
XLogP	4.9
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	20
Formal Charge	0
Complexity	281

SMILES

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

InChI

InChI=1S/C18H20O2/c1-2-3-14-18(17(19)20,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3,(H,19,20)

InChIKey

LNRZCHCAPUVAOP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2902-60-5

CID: 263120

Formula: C18H20O2

MW: 268.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	268.3
XLogP3	4.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	268.146329876
Monoisotopic Mass	268.146329876
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	281
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
YHA33789-01	2,2-Diphenylheptanoic acid
FD29145-01	2,2-Dimethylsuccinic acid
YAA77294-01	2,2-Dicyclopropylacetic acid
EBA66290-01	2,2-Dimethyloctanoic acid
AHA28661-01	2,2-Difluorohexanoic acid
AAA81358-01	2,2-Diethylbutanoic acid
CAA87473-01	2,2-Dimethyldodecanoic acid
KDA21666-01	2,2-Dimethyltetradecanoic acid
PAA25073-01	2,2-Dimethylheptanoic acid
FD22557-01	2,2'-Dithiobisbenzoic acid

Catalog	Name
D3727-70	2,2-Diphenylpentanoic Acid (2,2-Diphenylvaleric Acid)
PC1007558-01	2- (2-Pyridyloxy) acetic acid;2,2,2-trifluoroacetic acid
TRC-T895695-1G	2,2,2-Triphenylacetic Acid
RG-T180914-01	2,2,2-Trichloroacetic Acid
PC49665-01	2,2,2-Trifluoroethanesulphonic acid
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MBS6023740-01	2-Acetylthioisobutyric Acid ((2-Acetylthio)-2-methylpropanoic Acid)
MBS6054549-01	2-Mercaptophenylacetic Acid (2-Mercaptobenzeneacetic Acid)
AR-V01417-01	Vildagliptin carboxylic acid 2,2,2-trifluoroacetic acid
TRC-N345640-5G	2-Naphthoic Acid (2-Naphthalenecarboxylic Acid)