3-Cyclobutoxypropan-1-ol

CAT: 0926-UXB83518-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-UXB83518-01Size:50 mg

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CAS Number

1194835-18-1

MDL Number

MFCD17279818

Smiles

C1CC (C1) OCCCO

Molecular Formula

C7H14O2

Molecular Weight

130.18 g/mol

Controlled

Chemical Information

3-Cyclobutoxypropan-1-ol

CAS Number	1194835-18-1
PubChem CID	63053942
IUPAC Name	3-cyclobutyloxypropan-1-ol
Molecular Formula	C7H14O2
Molecular Weight	130.18
XLogP	0.7
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	9
Formal Charge	0
Complexity	69

SMILES

C1CC(C1)OCCCO

InChI

InChI=1S/C7H14O2/c8-5-2-6-9-7-3-1-4-7/h7-8H,1-6H2

InChIKey

LAQYIZMINVEICB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1194835-18-1

CID: 63053942

Formula: C7H14O2

MW: 130.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	130.18
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	130.099379685
Monoisotopic Mass	130.099379685
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	69.3
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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FB32430	3-Buten-1-ol
IDA48719-01	1-Methoxycarbonylpyrrolidin-3-ol
HJB28053-01	1-phenylazetidin-3-ol
EAA53476-01	3-Ethylcyclohexan-1-ol
DDA11992-01	3-Ethoxycyclobutan-1-ol
DAA52525-01	3-Ethylheptan-1-ol
OO173738-01	1-Octen-3-ol