3- (Hydroxymethyl) -1-adamantol

CAT: 0926-FH14755-01Size: 100 gDry Ice: NoHazardous: No

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CAT#:0926-FH14755-01Size:100 g

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CAS Number

38584-37-1

MDL Number

MFCD03105096

Smiles

C1C2CC3 (CC1CC (C2) (C3) O) CO

Molecular Formula

C11H18O2

Molecular Weight

182.26 g/mol

Controlled

Chemical Information

3-(Hydroxymethyl)adamantan-1-ol

See also: 1-Hydroxy-3-adamantylmethanol (annotation moved to).

CAS Number	38584-37-1
PubChem CID	12070475
IUPAC Name	3-(hydroxymethyl)adamantan-1-ol
Molecular Formula	C11H18O2
Molecular Weight	182.26
XLogP	1
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	222

SMILES

C1C2CC3(CC1CC(C2)(C3)O)CO

InChI

InChI=1S/C11H18O2/c12-7-10-2-8-1-9(3-10)5-11(13,4-8)6-10/h8-9,12-13H,1-7H2

InChIKey

FORAJDRXEYKDFJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 38584-37-1

CID: 12070475

Formula: C11H18O2

MW: 182.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.26
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	182.130679813
Monoisotopic Mass	182.130679813
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	222
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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