(E) -2-benzylidenecyclobutanone

CAT: 0127-OR1087048-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1087048-01Size:250 mg

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CAS Number

208652-65-7

Purity

95%

Smiles

C1 (=O) CC/C/1=Cc1ccccc1

Chemical Information

(2E)-2-(phenylmethylidene)cyclobutan-1-one

CAS Number	208652-65-7
PubChem CID	11651188
IUPAC Name	(2E)-2-benzylidenecyclobutan-1-one
Molecular Formula	C11H10O
Molecular Weight	158.20
XLogP	2.1
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	209

SMILES

C\1CC(=O)/C1=C/C2=CC=CC=C2

InChI

InChI=1S/C11H10O/c12-11-7-6-10(11)8-9-4-2-1-3-5-9/h1-5,8H,6-7H2/b10-8+

InChIKey

OARKISAIZLETMQ-CSKARUKUSA-N

Chemical Structure

2D Structure

CAS: 208652-65-7

CID: 11651188

Formula: C11H10O

MW: 158.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	158.20
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	158.073164938
Monoisotopic Mass	158.073164938
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	209
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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