3-Benzoyloxolane

CAT: 0926-YZB35666-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-YZB35666-01Size:50 mg

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CAS Number

1248356-66-2

MDL Number

MFCD14610314

Smiles

C1COCC1C (=O) C2=CC=CC=C2

Molecular Formula

C11H12O2

Molecular Weight

176.21 g/mol

Controlled

Chemical Information

3-Benzoyloxolane

CAS Number	1248356-66-2
PubChem CID	61272969
IUPAC Name	oxolan-3-yl(phenyl)methanone
Molecular Formula	C11H12O2
Molecular Weight	176.21
XLogP	1.6
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	183

SMILES

C1COCC1C(=O)C2=CC=CC=C2

InChI

InChI=1S/C11H12O2/c12-11(10-6-7-13-8-10)9-4-2-1-3-5-9/h1-5,10H,6-8H2

InChIKey

RSVDCXGFJUEGLS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1248356-66-2

CID: 61272969

Formula: C11H12O2

MW: 176.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	176.21
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	176.083729621
Monoisotopic Mass	176.083729621
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	183
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
YKC26807-01	3-Benzyloxolan-3-amine
CHA74858-01	4-Benzyloxolan-3-one
UAA54443-01	3-Benzyloxolane-2,5-dione
MGA85140-01	N-Benzyloxolan-3-amine
ZLD00224-01	Rac- (3R,4R) -4-Benzoyloxolan-3-amine hydrochloride
PAB46872	4-benzoyloxane
WAA17542-01	5-Benzyloxolan-2-one
JHD91799-01	Rac- (2R,5S) -5-Benzyloxolane-2-carboxylic acid
QMC01729-01	3- (3,3,3-Trifluoropropoxy) pyridine
JFC42829-01	3- (3,3,3-Trifluoropropyl) aniline

Catalog	Name
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