3-Benzylidene-2-oxo-cyclohexanecarbaldehyde

CAT: 0024-sc-276064Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-276064Size:1 g

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CAS Number

69009-80-9

Chemical Information

(3E)-2-Oxo-3-(phenylmethylidene)cyclohexane-1-carbaldehyde

CAS Number	69009-80-9
PubChem CID	5850016
IUPAC Name	(3E)-3-benzylidene-2-oxocyclohexane-1-carbaldehyde
Molecular Formula	C14H14O2
Molecular Weight	214.26
XLogP	2.7
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	298

SMILES

C1CC(C(=O)/C(=C/C2=CC=CC=C2)/C1)C=O

InChI

InChI=1S/C14H14O2/c15-10-13-8-4-7-12(14(13)16)9-11-5-2-1-3-6-11/h1-3,5-6,9-10,13H,4,7-8H2/b12-9+

InChIKey

DIQQESKBTLPISF-FMIVXFBMSA-N

Chemical Structure

2D Structure

CAS: 69009-80-9

CID: 5850016

Formula: C14H14O2

MW: 214.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	214.26
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	214.099379685
Monoisotopic Mass	214.099379685
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	298
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-475987	Trans-4- (Benzyloxycarbonylamino) cyclohexanecarbaldehyde
sc-475987A	Trans-4- (Benzyloxycarbonylamino) cyclohexanecarbaldehyde
sc-278076	(5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl) -acetic acid
sc-231482	3-Benzylidene-2,4-pentanedione
sc-349953A	[5- (3,4-Dimethoxy-benzylidene) -4-oxo-2-thioxo-thiazolidin-3-yl]-acetic acid
sc-349953	[5- (3,4-Dimethoxy-benzylidene) -4-oxo-2-thioxo-thiazolidin-3-yl]-acetic acid
sc-275929	3-[5- (4-Chloro-benzylidene) -4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid
sc-346010	3-[5- (4-Ethoxy-benzylidene) -4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid
sc-346010A	3-[5- (4-Ethoxy-benzylidene) -4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid
sc-275928	3-[5- (3,4-Dimethoxy-benzylidene) -4-oxo-2-thioxo-thiazolidin-3-yl]-propionic acid

Catalog	Name
OR1074540-01	2-Benzylidene-4-methyl-3-oxo-N-phenylpentanamide
237012-01	Cyclohexanecarbaldehyde 98+% (GC)
266128-01	Trans-4- (Benzyloxycarbonylamino) cyclohexanecarbaldehyde
AR-E01472-01	(Z) -2- (5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl) acetic acid
MJB82752-01	3- (5-Benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl) benzoic acid
OR451308-01	3-Benzylidene-2,4-pentanedione
OR1013147-01	Ethyl 2-Benzylidene-3-Oxobutanoate
BWB94457-01	[ (5Z) -5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
TRC-Z701820-500MG	[(5Z)-5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic Acid
OR1043627	Benzylidene 2-Fluorenamine