Baldrinal supplier | CasNO.18234-46-3

Name
baldrinal
EINECS
CAS No. 18234-46-3
Density 1.29g/cm³
Solubility
Melting Point
Formula C₁₂H₁₀O₄
Boiling Point 451.4°Cat760mmHg
Molecular Weight 218.209
Flash Point 206.2°C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cyclopenta[c]pyran-7-carboxaldehyde,4-(hydroxymethyl)-, acetate (8CI);Baldrinal;
PSA 56.51000
LogP 2.26000

Baldrinal Specification

The Baldrinal with the cas number 18234-46-3 is also called 4-(Hydroxymethyl)cyclopenta(c)pyran-7-carboxaldehyde acetate. The systematic name is Cyclopenta(c)pyran-7-carboxaldehyde, 4-(hydroxymethyl)-, acetate and the IUPAC name is (7-formylcyclopenta[c]pyran-4-yl)methyl acetate. The molecular formula of the chemical is C₁₂H₁₀O₄. Its classification code is Mutation data.

Properties Computed from Structure: (1)XLogP3-AA: 1.1; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 4; (4)Rotatable Bond Count: 4; (5)Exact Mass: 218.057909; (6)MonoIsotopic Mass: 218.057909; (7)Topological Polar Surface Area: 56.5; (8)Heavy Atom Count: 16; (9)Formal Charge: 0; (10)Complexity: 276; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c2c(c(co1)COC(=O)C)ccc2C=O
(2)InChI: InChI=1/C12H10O4/c1-8(14)16-6-10-5-15-7-12-9(4-13)2-3-11(10)12/h2-5,7H,6H2,1H3

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	465mg/kg (465mg/kg)	BEHAVIORAL: ANTIPSYCHOTIC	Archiv der Pharmazie Vol. 315, Pg. 691, 1982.

Product Name

baldrinal

Baldrinal Specification

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