1-Hydroxymethyl-2-oxadamantane

CAT: 0926-DCC97414-01Size: 0.25 gDry Ice: NoHazardous: No

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CAT#:0926-DCC97414-01Size:0.25 g

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CAS Number

1303974-14-2

MDL Number

MFCD18909759

Molecular Formula

C10H16O2

Molecular Weight

168.23 g/mol

Controlled

Chemical Information

(2-Oxatricyclo(3.3.1.1,3,7)decan-1-yl)methanol

CAS Number	1303974-14-2
PubChem CID	13617743
IUPAC Name	2-oxatricyclo[3.3.1.13,7]decan-1-ylmethanol
Molecular Formula	C10H16O2
Molecular Weight	168.23
XLogP	1.2
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	188

SMILES

C1C2CC3CC1CC(C2)(O3)CO

InChI

InChI=1S/C10H16O2/c11-6-10-4-7-1-8(5-10)3-9(2-7)12-10/h7-9,11H,1-6H2

InChIKey

CXQHXBRNBRPJRY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1303974-14-2

CID: 13617743

Formula: C10H16O2

MW: 168.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.23
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	168.115029749
Monoisotopic Mass	168.115029749
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	188
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

Catalog	Name
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