AG00DCUN

49640-66-6 | 1-(Hydroxymethyl)cyclopropanecarboxylic acid

AG00DCUN

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CAS Number	49640-66-6
Catalog Number	AG00DCUN(AGN-PC-00H0O1)
Chemical Name	1-(Hydroxymethyl)cyclopropanecarboxylic acid
IUPAC Name	1-(hydroxymethyl)cyclopropane-1-carboxylic acid
InChI	InChI=1S/C5H8O3/c6-3-5(1-2-5)4(7)8/h6H,1-3H2,(H,7,8)
InChI Key	TYFMINBPAYVYCW-UHFFFAOYSA-N
MDL Number	MFCD17078844
Molecular Formula	C5H8O3
Molecular Weight	116.1152
SMILES	OCC1(CC1)C(=O)O
Synonyms	49640-66-6, 1-(hydroxymethyl)cyclopropanecarboxylic acid, 1-(hydroxymethyl)cyclopropane-1-carboxylic Acid, 1-(Hydroxymethyl)cyclopropane carboxylic acid, SCHEMBL1815192, CTK8A2015, DTXSID00473957, TYFMINBPAYVYCW-UHFFFAOYSA-N, ALBB-030411, MFCD17078844, ZINC36466063, AKOS006376291, (hydroxymethyl)cyclopropanecarboxylic acid, AS-48738, 1-hydroxymethyl-cyclopropanecarboxylic acid, 1-hydroxymethyl-1-cyclopropanecarboxylic acid, Cyclopropanecarboxylic acid, 1-(hydroxymethyl)-, Y-7744, 1-(hydroxymethyl)cyclopropanecarboxylic acid(SALTDATA, CID11829403,

Complexity	115
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	116.047g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	116.116g/mol
Monoisotopic Mass	116.047g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H315-H318-H335
Packing Group	Ⅲ
Precautionary statements	P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P332+P313-P362-P403+P233-P405-P501
UN Code	UN 3261

Certificate of Analysis

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