AG000VD6

1310381-54-4 | 3-Oxetaneacetic acid

AG000VD6

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CAS Number	1310381-54-4
Catalog Number	AG000VD6(AGN-PC-0WAJDG)
Chemical Name	3-Oxetaneacetic acid
IUPAC Name	2-(oxetan-3-yl)acetic acid
InChI	InChI=1S/C5H8O3/c6-5(7)1-4-2-8-3-4/h4H,1-3H2,(H,6,7)
InChI Key	FSJPCGQVHNWRGI-UHFFFAOYSA-N
MDL Number	MFCD19442256
Molecular Formula	C5H8O3
Molecular Weight	116.1152
SMILES	O=C(O)CC1COC1
Synonyms	2-(OXETAN-3-YL)ACETIC ACID, 1310381-54-4, 3-OXETANEACETIC ACID, oxetan-3-ylacetic acid, 2-(Oxetan-3-yl)aceticacid, (Oxetan-3-yl)acetic acid, SCHEMBL1830399, OXETAN-3-YL-ACETIC ACID, CTK8E3436, DTXSID10716620, 3631AD, BBL103630, MFCD19442256, STL557440, ZINC72267133, AKOS015893461, MCULE-1090518485, PB15407, AS-38437, SC-70807, AB0077492, DB-023454, ST1020071, TX-015489, CS-0045509, FT-0684536, Q-1961, A1-11884, I04-5718, C5H8O3,

Complexity	95.8
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	1
Isotope Atom Count	0
Molecular Weight	116.116g/mol
Monoisotopic Mass	116.047g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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