AG00ELWY

63632-58-6 | 2-Octoxyacetic acid

AG00ELWY

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CAS Number	63632-58-6
Catalog Number	AG00ELWY(AGN-PC-0JKJZZ)
Chemical Name	2-Octoxyacetic acid
IUPAC Name	2-octoxyacetic acid
InChI	InChI=1S/C10H20O3/c1-2-3-4-5-6-7-8-13-9-10(11)12/h2-9H2,1H3,(H,11,12)
InChI Key	HPSBYYHIHGQARI-UHFFFAOYSA-N
MDL Number	MFCD11196116
Molecular Formula	C10H20O3
Molecular Weight	188.2640
NSC Number	294114
SMILES	O=C(O)COCCCCCCCC
Synonyms	2-(Octyloxy)acetic acid, 63632-58-6, 2-octoxyacetic acid, Octyloxy-acetic acid, (octyloxy)acetic acid, AC1L1F31, SCHEMBL1357025, DTXSID40274849, ZINC1566426, NSC294114, AKOS009257397, MCULE-8710960938, NE34171, NSC-294114, EN300-84898, Z1258721211, CID28319,

Complexity	123
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.141g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	188.267g/mol
Monoisotopic Mass	188.141g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501
UN Code	UN 3265

Certificate of Analysis

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