2,2-Dimethyl-1,3-dioxaindan-4-ol

CAT: 0926-XAA96182-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-XAA96182-01Size:50 mg

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CAS Number

22961-82-6

MDL Number

MFCD00667010

Smiles

CC1 (OC2=CC=CC (=C2O1) O) C

Molecular Formula

C9H10O3

Molecular Weight

166.17 g/mol

Controlled

Chemical Information

Bendiocarb phenol

Bendiocarb phenol is a white crystalline solid.

CAS Number	22961-82-6
PubChem CID	62765
IUPAC Name	2,2-dimethyl-1,3-benzodioxol-4-ol
Molecular Formula	C9H10O3
Molecular Weight	166.17
XLogP	1.8
Topological Polar Surface Area	38.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	179

SMILES

CC1(OC2=CC=CC(=C2O1)O)C

InChI

InChI=1S/C9H10O3/c1-9(2)11-7-5-3-4-6(10)8(7)12-9/h3-5,10H,1-2H3

InChIKey

CSSWBRMYHJVCPZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22961-82-6

CID: 62765

Formula: C9H10O3

MW: 166.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.17
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	166.062994177
Monoisotopic Mass	166.062994177
Topological Polar Surface Area	38.7 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	179
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
YCA44799-01	2,2-Dimethyl-1,3-dioxaindan-5-ol
ADA59313-01	4- (1,3-Dioxaindan-5-yl) butan-2-ol
JNA77839-01	2- (2,2-Difluoro-1,3-dioxaindan-4-yl) ethan-1-ol
UQB77684-01	(2,2-Dimethyl-1,3-dioxaindan-5-yl) methanamine
YAA03764-01	1- (1,3-Dioxaindan-5-yl) -2-methylpropan-2-ol
GAA97461-01	1- (1,3-Dioxaindan-5-yl) propan-2-ol
HAA22840-01	1- (1,3-Dioxaindan-4-yl) ethan-1-ol
TCA70772-01	2,3-Dimethyl-5-nitropyridin-4-ol
YGC02568-01	4-Amino-2,2-dimethyl-3-phenylbutan-1-ol
XDA66449-01	4- (1,3-Dioxaindan-5-yl) butan-1-ol

Catalog	Name
OR1071453-01	2,4-Dimethyl-[1,1'-biphenyl]-3-ol
TRC-D468170-2.5G	2,2-Dimethyl-4-pentyn-1-ol
TRC-D475938-50MG	2,2-Dimethyl-2H-1,3-benzodioxol-4-ol
JH570520	2,2-Dimethyl-3-buten-1-ol
OR1039290-01	2,2-Dimethyl-3-phenylmethoxypropan-1-ol
OR1098193-01	2,4-dimethyl-3-phenylpentan-3-ol
OR22873	2,4-Dimethyl-4-phenylpentan-2-ol
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OR1089321-01	3-Bromo-2',3'-dimethyl-[1,1'-biphenyl]-4-ol