AG000AAB

114012-42-9 | 3-Oxetanecarboxylic acid, 3-phenyl-

AG000AAB

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CAS Number	114012-42-9
Catalog Number	AG000AAB(AGN-PC-02KXDH)
Chemical Name	3-Oxetanecarboxylic acid, 3-phenyl-
IUPAC Name	3-phenyloxetane-3-carboxylic acid
InChI	InChI=1S/C10H10O3/c11-9(12)10(6-13-7-10)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)
InChI Key	WOMJGOIQQFWNKL-UHFFFAOYSA-N
MDL Number	MFCD20659492
Molecular Formula	C10H10O3
Molecular Weight	178.1846
SMILES	C1(=CC=CC=C1)C1(COC1)C(=O)O
Synonyms	3-PHENYLOXETANE-3-CARBOXYLIC ACID, 114012-42-9, AK172245, AS-32726, OR312081, CS-0045515, KS-00000708, Q-4063, 3-Oxetanecarboxylic acid, 3-phenyl-, EOS290, SCHEMBL10535071, MFCD20659492, ZINC76602457, AKOS023204389, FCH1239927, PB33532,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.063g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	178.187g/mol
Monoisotopic Mass	178.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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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