4-Ethyloxan-3-one

CAT: 0926-DLC57704-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-DLC57704-01Size:50 mg

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CAS Number

1528577-04-9

MDL Number

MFCD31617231

Smiles

CCC1CCOCC1=O

Molecular Formula

C7H12O2

Molecular Weight

128.17 g/mol

Controlled

Chemical Information

4-Ethyloxan-3-one

CAS Number	1528577-04-9
PubChem CID	58654151
IUPAC Name	4-ethyloxan-3-one
Molecular Formula	C7H12O2
Molecular Weight	128.17
XLogP	0.9
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	109

SMILES

CCC1CCOCC1=O

InChI

InChI=1S/C7H12O2/c1-2-6-3-4-9-5-7(6)8/h6H,2-5H2,1H3

InChIKey

SJGRHFSBADOEGU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1528577-04-9

CID: 58654151

Formula: C7H12O2

MW: 128.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	128.17
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	128.083729621
Monoisotopic Mass	128.083729621
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	109
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
WAA39842-01	3-Ethyloxan-4-one
YAA07745-01	2-Ethyloxan-4-ol
BZB50690-01	(4-Ethyloxan-4-yl) methanol
JDC14726-01	2-Ethyloxan-4-amine
KFC69638-01	(4-Ethyloxan-4-yl) methanamine hydrochloride
JBD33699-01	N-Ethyloxan-3-amine hydrochloride
RDC05475-01	2- (2-Ethyloxan-4-yl) acetic acid
GAA13723-01	5-Ethylnonan-3-one
UAA55014-01	4,4-Dimethylhexan-3-one
RDC98310-01	3- (3-Hydroxypropyl) -3,4-dihydropyrimidin-4-one

Catalog	Name
PC1288-01	3,3,4,4,4-Pentafluorobutan-2-one
PC104113	3,3-Difluorooxan-4-one
PC10033-01	3,3,4,4-Tetrafluorobutan-2-one
OR1006262	3-Amino-3,4-dihydroquinazolin-4-one
TRC-D394020-100MG	4-(3,4-Diaminophenyl)morpholin-3-one
C211011	4-Cholesten-3-one-3,4-13C2
OR23867-01	3- (methylamino) -3,4-dihydroquinazolin-4-one
HY-W013007-01	4-Hexen-3-one
HY-114505	3-Hydroxypentadecane-4-one
504822	4-CHOLESTEN-3-ONE