Benzaldehyde- (phenyl-13C6)

CAT: 0926-DGA48914-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-DGA48914-01Size:25 mg

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CAS Number

153489-14-6

Smiles

C1=CC=C (C=C1) C=O

Molecular Formula

C7H6O

Controlled

Yes

Chemical Information

Benz-13C6-aldehyde

CAS Number	153489-14-6
PubChem CID	10931392
IUPAC Name	(1,2,3,4,5,6-13C6)cyclohexatrienecarbaldehyde
Molecular Formula	C7H6O
Molecular Weight	112.078
XLogP	1.5
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	72

SMILES

[13CH]1=[13CH][13CH]=[13C]([13CH]=[13CH]1)C=O

InChI

InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H/i1+1,2+1,3+1,4+1,5+1,7+1

InChIKey

HUMNYLRZRPPJDN-ZXJNGCBISA-N

Chemical Structure

2D Structure

CAS: 153489-14-6

CID: 10931392

Formula: C7H6O

MW: 112.078

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	112.078
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	112.06199382
Monoisotopic Mass	112.06199382
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	72.5
Isotope Atom Count	6
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
FS168582-01	Sulfadiazine- (phenyl-13C6)
UPC98108-01	(±) -Clopidogrel- (phenyl-13C6)
YWB02054-01	Phenyl-13C6-acetic acid
BIA59563-01	L-Tyrosine- (phenyl-13C6)
RNA55692-01	3-[4- (3-Formylphenyl) phenyl]benzaldehyde
PDA05934-01	Phenol 13C6
WZB81820-01	Prothiofos-13C6
EDC49724-01	Phloroglucinol-13C6
AFA77094	Acetophenone-13C6
CBA35522-01	Phthalide 13C6

Catalog	Name
TRC-B183897-5MG	Benzaldehyde-(phenyl-13C6)
442269-01	Benzaldehyde- (phenyl-13C6)
TRC-P297807-25MG	3-(phenoxy-13C6)-benzaldehyde
1204-60-0-01	3-Phenyl-benzaldehyde
OR1049425-01	4- ((4- (Hydroxymethyl) phenyl) (phenyl) amino) benzaldehyde
429966-01	4-[3- (Methoxycarbonyl) phenyl]benzaldehyde
sc-276973	4-[methyl (phenyl) amino]benzaldehyde
414722-01	2-[4- (Benzyloxy) phenyl]benzaldehyde
414688-01	2-[3- (Benzyloxy) phenyl]benzaldehyde
OR1069676-01	4- (Ethyl (phenyl) amino) benzaldehyde