4-tert-Butyl Catechol 98% Extrapure

CAT: 1507-57000500Size: 500 mgDry Ice: NoHazardous: No

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CAT#:1507-57000500Size:500 mg

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CAS Number

98-29-3

HSN Code

29072990

Chemical Information

4-tert-Butylcatechol

CAS Number	98-29-3
PubChem CID	7381
IUPAC Name	4-tert-butylbenzene-1,2-diol
Molecular Formula	C10H14O2
Molecular Weight	166.22
XLogP	2.7
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	148

SMILES

CC(C)(C)C1=CC(=C(C=C1)O)O

InChI

InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3

InChIKey

XESZUVZBAMCAEJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 98-29-3

CID: 7381

Formula: C10H14O2

MW: 166.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.22
XLogP3	2.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	166.099379685
Monoisotopic Mass	166.099379685
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	148
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
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57700250	Tert-Butyl Hydroquinone 98% Extrapure
56602500	Iso-Butyl Benzene 98% Extrapure
54702500	N-Butyl Acetate 98% Extrapure
54700500	N-Butyl Acetate 98% Extrapure
00547 02500	N-Butyl Acetate 98% Extrapure
00547 00500	N-Butyl Acetate 98% Extrapure
56600500	Iso-Butyl Benzene 98% Extrapure
2522A 00500	Sodium Tert-Butoxide 98% Extrapure
02181 01000	Potassium Tert-Butoxide 98% Extrapure

Catalog	Name
00570 00500	4-tert-Butyl Catechol 98% Extrapure
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1022080 500	P -tert-Butyl Catechol (p-tert Butyl Pyrocatechol)
sc-205581	3-tert-Butyl-5-methoxy-catechol
88194-01	P-tert-Butyl Catechol pure, 98%
00549 00500	Tert-Butyl Acetate 99% Extrapure
22942-01	Tert-Butyl Chloride extrapure, 99%
21835-01	Tert-Butyl Alcohol extrapure, 99%
91666-01	Tert-Butyl Carbazate extrapure, 98%
B810794	4-tert-Butyl-d9-catechol-3,5,6-d3