Benzaldehyde-α-13C, α-d1

CAT: 0024-sc-227313Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-227313Size:250 mg

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CAS Number

155638-70-3

Chemical Information

(formyl-~13~C,formyl-~2~H)Benzaldehyde

CAS Number	155638-70-3
PubChem CID	16213526
IUPAC Name	deuterio(phenyl)(113C)methanone
Molecular Formula	C7H6O
Molecular Weight	108.12
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

[2H][13C](=O)C1=CC=CC=C1

InChI

InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H/i6+1D

InChIKey

HUMNYLRZRPPJDN-KFNOGTNBSA-N

Chemical Structure

2D Structure

CAS: 155638-70-3

CID: 16213526

Formula: C7H6O

MW: 108.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	108.12
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	108.051496392
Monoisotopic Mass	108.051496392
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	72.5
Isotope Atom Count	2
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
sc-227315	Benzaldehyde-α-13C
sc-206830	4-Benzyloxy-[7-13C]benzaldehyde
sc-216578	3,4-Dimethoxy[7-13C]-benzaldehyde
sc-288180	2-Ketobutyric acid-4-13C,4-d1 sodium salt
sc-214581	Benzaldehyde tosylhydrazone
sc-227311	Benzaldehyde semicarbazone
sc-487437	Benzaldehyde Phenylhydrazone
sc-214581A	Benzaldehyde tosylhydrazone
sc-278727	Benzaldehyde azine
sc-255712	Urea-13C