Vitamin A Impurity 74

CAT: 1299-RM-V308674-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-V308674-01Size:10 mg

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CAS Number

14918-80-0

Synonyms

3-methyl-4-oxobut-2-en-1-yl acetate

Molecular Formula

C7H10O3

Molecular Weight

142.15

Target Alternative Name

Vitamin A

Chemical Information

3-Formylbut-2-enyl acetate

CAS Number	14918-80-0
PubChem CID	84699
IUPAC Name	(3-methyl-4-oxobut-2-enyl) acetate
Molecular Formula	C7H10O3
Molecular Weight	142.15
XLogP	0.2
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	10
Formal Charge	0
Complexity	158

SMILES

CC(=CCOC(=O)C)C=O

InChI

InChI=1S/C7H10O3/c1-6(5-8)3-4-10-7(2)9/h3,5H,4H2,1-2H3

InChIKey

LPDDKAJRWGPGSI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14918-80-0

CID: 84699

Formula: C7H10O3

MW: 142.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	142.15
XLogP3	0.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	142.062994177
Monoisotopic Mass	142.062994177
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	158
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-V01550-01	Vitamin A Impurity C (retro-Vitamin A)
HY-76871-01	Vitamin impurity 4
HY-Z1075	Vitamin impurity 2
468726	Vitamin D2 Impurity
GTR19280568-01	Vitamin impurity 3
AR-V01542-01	Vitamin B6 Impurity
AR-V06822-01	Vitamin K1 Impurity 14 (Vitamin K4)
AR-V07170-01	Vitamin D3 Impurity 15
AR-V06848-01	Vitamin K2 Impurity 10
AR-V06847-01	Vitamin K2 Impurity 8