AG00DF6T

5623-81-4 | Cyclopentyl Acetaldehyde

AG00DF6T

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CAS Number	5623-81-4
Catalog Number	AG00DF6T(AGN-PC-0NJ5FD)
Chemical Name	Cyclopentyl Acetaldehyde
IUPAC Name	2-cyclopentylacetaldehyde
InChI	InChI=1S/C7H12O/c8-6-5-7-3-1-2-4-7/h6-7H,1-5H2
InChI Key	CEUXIAUEIGSQSZ-UHFFFAOYSA-N
MDL Number	MFCD09744988
Molecular Formula	C7H12O
Molecular Weight	112.1696
SMILES	O=CCC1CCCC1
Synonyms	2-cyclopentylacetaldehyde, 5623-81-4, CYCLOPENTANEACETALDEHYDE, cyclopentylacetaldehyde, cyclopentyl acetaldehyde, Cyclopentyl-acetaldehyde, 2-cyclopentylethanal, cyclopentane-acetaldehyde, 2-cyclopentyl-acetaldehyde, AC1Q6QJ8, SCHEMBL388985, CTK5A4822, DTXSID00500191, CEUXIAUEIGSQSZ-UHFFFAOYSA-N, 8225AB, MFCD09744988, ZINC37625940, AKOS011896096, AJ-94178, AS-47043, 4CH-024528, ST24040514, EN300-70446, Z-4949, A830967, I14-17243, F2147-1742, C7H12O,

Complexity	72.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	112.089g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	112.172g/mol
Monoisotopic Mass	112.089g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226
Packing Group	Ⅲ
Precautionary statements	P210-P403+P235
UN Code	UN 1989

Certificate of Analysis

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