AG00DHY1

56105-19-2 | 1H-PYRROLO[2,3-B]PYRIDIN-3-YLACETIC ACID

AG00DHY1

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CAS Number	56105-19-2
Catalog Number	AG00DHY1(AGN-PC-0N2AN6)
Chemical Name	1H-PYRROLO[2,3-B]PYRIDIN-3-YLACETIC ACID
IUPAC Name	2-cyclopropylacetaldehyde
InChI	InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2
InChI Key	TUHIBIVYQLRGME-UHFFFAOYSA-N
MDL Number	MFCD09745005
Molecular Formula	C5H8O
Molecular Weight	84.1164
SMILES	C1(CC1)CC=O
Synonyms	2-cyclopropylacetaldehyde, 56105-19-2, Cyclopropyl-acetaldehyde, Cyclopropaneacetaldehyde, 1h-pyrrolo[2,3-b]pyridin-3-ylacetic acid, MFCD09745005, CYCLOPROPYLACETALDEHYDE, 2-cyclopropylethanal, cyclopropyl acetaldehyde, CTK1F5312, DTXSID60437873, TUHIBIVYQLRGME-UHFFFAOYSA-N, 8199AB, ANW-57584, ZINC12953284, 2-cyclopropylacetaldehyde, AldrichCPR, AKOS010079814, AB51242, RL04118, AJ-63105, SC-13107, DB-074520, TC-146329, BB 0261648, Cyclopropyl-acetaldehyde, 50%w/w in toluene, FT-0696607, 2-Cyclopropylacetaldehyde, 50% w/w in toluene, Z-5295, J-509257, I14-17241, F8883-7630, C5H8O, ACN-044515, CID10307849, 72072-03-8,

Complexity	55
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	84.058g/mol
Formal Charge	0
Heavy Atom Count	6
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	84.118g/mol
Monoisotopic Mass	84.058g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3(8)
Hazard statements	H225-H314
Packing Group	Ⅱ
Precautionary statements	P210-P280-P305+P351+P338-P310
UN Code	UN 2924

Certificate of Analysis

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