2-Ethyloxan-4-ol

CAT: 0926-YAA07745-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-YAA07745-01Size:50 mg

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CAS Number

23077-45-4

MDL Number

MFCD19650669

Smiles

CCC1CC (CCO1) O

Molecular Formula

C7H14O2

Molecular Weight

130.18 g/mol

Controlled

Chemical Information

2-Ethyloxan-4-ol

CAS Number	23077-45-4
PubChem CID	10240829
IUPAC Name	2-ethyloxan-4-ol
Molecular Formula	C7H14O2
Molecular Weight	130.18
XLogP	0.9
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	83

SMILES

CCC1CC(CCO1)O

InChI

InChI=1S/C7H14O2/c1-2-7-5-6(8)3-4-9-7/h6-8H,2-5H2,1H3

InChIKey

MXUDKCAUJBPFFS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 23077-45-4

CID: 10240829

Formula: C7H14O2

MW: 130.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	130.18
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	130.099379685
Monoisotopic Mass	130.099379685
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	83
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
JDC14726-01	2-Ethyloxan-4-amine
WAA39842-01	3-Ethyloxan-4-one
RDC05475-01	2- (2-Ethyloxan-4-yl) acetic acid
BZB50690-01	(4-Ethyloxan-4-yl) methanol
DLC57704-01	4-Ethyloxan-3-one
KFC69638-01	(4-Ethyloxan-4-yl) methanamine hydrochloride
RCA57632-01	4-Ethylhexan-1-ol
JBD33699-01	N-Ethyloxan-3-amine hydrochloride
HCA09443-01	2,4-Dimethyloxan-4-ol
ZCA35631-01	2,4-Dimethylnonan-4-ol