LG-100064

CAT: 0607-BA3646-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA3646-5Size:5 mg

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

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CAS Number

153559-46-7

Form

A solid

Molecular Formula

C23H26O3

Molecular Weight

350.45

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalene-2-carbonyl)benzoic acid

CAS Number	153559-46-7
PubChem CID	9810431
IUPAC Name	4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid
Molecular Formula	C23H26O3
Molecular Weight	350.4
XLogP	6.3
Topological Polar Surface Area	54.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	26
Formal Charge	0
Complexity	554

SMILES

CC1=CC2=C(C=C1C(=O)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C

InChI

InChI=1S/C23H26O3/c1-14-12-18-19(23(4,5)11-10-22(18,2)3)13-17(14)20(24)15-6-8-16(9-7-15)21(25)26/h6-9,12-13H,10-11H2,1-5H3,(H,25,26)

InChIKey

QADGBOQVBUXZKO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 153559-46-7

CID: 9810431

Formula: C23H26O3

MW: 350.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	350.4
XLogP3	6.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	350.18819469
Monoisotopic Mass	350.18819469
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	554
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