AG00DD96

54497-00-6 | PROPOXYACETICACID

AG00DD96

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CAS Number	54497-00-6
Catalog Number	AG00DD96(AGN-PC-0JLC5H)
Chemical Name	PROPOXYACETICACID
IUPAC Name	2-propoxyacetic acid
InChI	InChI=1S/C5H10O3/c1-2-3-8-4-5(6)7/h2-4H2,1H3,(H,6,7)
InChI Key	SGUYGLMQEOSQTH-UHFFFAOYSA-N
MDL Number	MFCD09744041
Molecular Formula	C5H10O3
Molecular Weight	118.1311
NSC Number	294106
SMILES	O=C(O)COCCC
Synonyms	2-Propoxyacetic acid, 54497-00-6, Propoxyacetic acid, Acetic aid, propoxy-, Acetic acid, propoxy-, Propoxyaceticacid, Propoxyacetic aid, Propoxy acetic acid, N-Propoxyacetic acid, Acetic acid, 2-propoxy-, 2-PropoxyaceticAcid, NSC 294106, AC1L2OMY, AC1Q2YHX, AC1Q5WRX, SCHEMBL295696, CTK1H0852, KS-00000CWL, DTXSID40202900, ALBB-014631, ZINC1566418, 5344AE, BBL008506, MFCD09744041, NSC294106, SBB065992, STL122198, AKOS005174824, MCULE-6841640058, NSC-294106, AJ-27143, AK118158, CS-11559, SY025048, AB0195981, DB-014169, TC-020463, FT-0654515, EN300-56303, MFCD09744041 (95%), K-9822, I04-1067, Z1259087006, C5H10O3, AR-1L2348, C5-H10-O3, CID100383, ACN-039704, 56187-92-9,

Complexity	70.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	118.063g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	118.132g/mol
Monoisotopic Mass	118.063g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number