AG00HSJZ

131515-31-6 | Bicyclo[1.1.1]pentane-1-acetic acid

AG00HSJZ

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CAS Number	131515-31-6
Catalog Number	AG00HSJZ(AGN-PC-0WAK92)
Chemical Name	Bicyclo[1.1.1]pentane-1-acetic acid
IUPAC Name	2-(1-bicyclo[1.1.1]pentanyl)acetic acid
InChI	InChI=1S/C7H10O2/c8-6(9)4-7-1-5(2-7)3-7/h5H,1-4H2,(H,8,9)
InChI Key	ZXUMFNBFVORNQL-UHFFFAOYSA-N
MDL Number	MFCD19229645
Molecular Formula	C7H10O2
Molecular Weight	126.1531
SMILES	OC(=O)CC12CC(C1)C2
Synonyms	131515-31-6, 2-(Bicyclo[1.1.1]pentan-1-yl)acetic acid, Bicyclo[1.1.1]pentane-1-acetic acid, SCHEMBL17628790, KS-000005PC, FCH966212, MFCD19229645, Bicyclo[1.1.1]pentane-1-aceticacid, AKOS006377942, Bicyclo[1.1.1]pent-1-ylacetic acid, ZINC104697249, SB13432, AS-51405, OR312470, CS-0049789,

Complexity	145
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	126.068g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	126.155g/mol
Monoisotopic Mass	126.068g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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