AG00A117

1373503-48-0 | 2-(3,3-Difluorocyclobutyl)acetic acid

AG00A117

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CAS Number	1373503-48-0
Catalog Number	AG00A117(AGN-PC-0WAKXH)
Chemical Name	2-(3,3-Difluorocyclobutyl)acetic acid
IUPAC Name	2-(3,3-difluorocyclobutyl)acetic acid
InChI	InChI=1S/C6H8F2O2/c7-6(8)2-4(3-6)1-5(9)10/h4H,1-3H2,(H,9,10)
InChI Key	WLOWIPYSYJEWHB-UHFFFAOYSA-N
MDL Number	MFCD22199410
Molecular Formula	C6H8F2O2
Molecular Weight	150.1233
SMILES	O=C(O)CC1CC(F)(F)C1
Synonyms	2-(3,3-DIFLUOROCYCLOBUTYL)ACETIC ACID, 1373503-48-0, (3,3-DIFLUOROCYCLOBUTYL)ACETIC ACID, Cyclobutaneacetic acid, 3,3-difluoro-, SCHEMBL15114485, DTXSID50857369, WLOWIPYSYJEWHB-UHFFFAOYSA-N, MFCD22199410, ZINC95742753, AKOS024124847, PB33586, KS-0000042Y, AS-42222, CS-0052295, F2147-2736,

Complexity	148
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	150.049g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	150.125g/mol
Monoisotopic Mass	150.049g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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