Name: 1-cyclopropylethane-1,2-diol - ≥97% , CAS No.784105-42-6
SKU: C634541
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Classe	Organooxygen compounds
Subclass	Alcohols and polyols
Intermediate Tree Nodes	Polyols
Direct Parent	1,2-diols
Alternative Parents	Secondary alcohols Primary alcohols Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Secondary alcohol - 1,2-diol - Hydrocarbon derivative - Primary alcohol - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as 1,2-diols. These are polyols containing an alcohol group at two adjacent positions.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Structure 3D

Certificats (CoA, COO, BSE/TSE et tableau d'analyse)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Propriétés chimiques et physiques

Poids moléculaire	102.130 g/mol
XLogP3	-0.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	102.068 Da
Monoisotopic Mass	102.068 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	59.100
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Calculateurs de solution

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Avis

Sourires canoniques	C1CC1C(CO)O
IUPAC Name	1-cyclopropylethane-1,2-diol
InChIKey	BGVZHHMFIIQQEX-UHFFFAOYSA-N
INCHI	1S/C5H10O2/c6-3-5(7)4-1-2-4/h4-7H,1-3H2
Isomères SMILES	C1CC1C(CO)O
PubChem CID	53420227
Poids moléculaire	102.13

1-cyclopropylethane-1,2-diol - ≥97% , CAS No.784105-42-6

Specifications