AG000AAC

114012-41-8 | Oxetane-3-carboxylic acid

AG000AAC

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CAS Number	114012-41-8
Catalog Number	AG000AAC(AGN-PC-02KXDF)
Chemical Name	Oxetane-3-carboxylic acid
IUPAC Name	oxetane-3-carboxylic acid
InChI	InChI=1S/C4H6O3/c5-4(6)3-1-7-2-3/h3H,1-2H2,(H,5,6)
InChI Key	UWOTZNQZPLAURK-UHFFFAOYSA-N
MDL Number	MFCD08669505
Molecular Formula	C4H6O3
Molecular Weight	102.0886
SMILES	O1CC(C1)C(=O)O
Synonyms	oxetane-3-carboxylic acid, 114012-41-8, 3-OXETANECARBOXYLIC ACID, 3-Oxetanecarboxylicacid, MFCD08669505, ACMC-20ahnr, Oxetane-3-carboxylc acd, Oxetane-3-carboxylicacid, SCHEMBL695096, AMOT00001, CTK0H2955, DTXSID80600567, UWOTZNQZPLAURK-UHFFFAOYSA-N, HT703, BCP25466, CS-B1344, KS-000019LC, ANW-73813, EBD992338, ZINC20446316, AKOS006282957, AM84264, PB18896, RP08240, AJ-77744, AK-46159, DS-13774, SC-48326, SY008837, 114012-41-8 oxetane-3-carboxylic acid, AB0031080, ST1020111, TX-015474, 4CH-021307, FT-0684529, X3417, MFCD08669505 (95%), Q-3150, A803122, H112227, J-523856, I14-20263, F0001-0281, C4H6O3,

Complexity	84.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	102.032g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	102.089g/mol
Monoisotopic Mass	102.032g/mol
Rotatable Bond Count	1
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-H319
Packing Group	\N
Precautionary statements	P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number