AG003P3V

6540-33-6 | 2-cyclobutylacetic acid

AG003P3V

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CAS Number	6540-33-6
Catalog Number	AG003P3V(AGN-PC-0K6AYP)
Chemical Name	2-cyclobutylacetic acid
IUPAC Name	2-cyclobutylacetic acid
InChI	InChI=1S/C6H10O2/c7-6(8)4-5-2-1-3-5/h5H,1-4H2,(H,7,8)
InChI Key	FQRMJJJRCOMBKG-UHFFFAOYSA-N
MDL Number	MFCD06411067
Molecular Formula	C6H10O2
Molecular Weight	114.1424
SMILES	O=C(O)CC1CCC1
Synonyms	2-cyclobutylacetic Acid, 6540-33-6, Cyclobutaneacetic acid, cyclobutylacetic acid, Cyclobutyl-acetic acid, CyclobutylaceticAcid, cyclobutane-acetic acid, AC1LTXAU, 2-cyclobutyl-acetic acid, SCHEMBL177588, CTK2F2700, KS-00000CMG, DTXSID20363967, FQRMJJJRCOMBKG-UHFFFAOYSA-N, cyclobutyl-acetic acid, AldrichCPR, ALBB-010277, BCP15064, CS-D0460, ZINC1439023, AB3606, ANW-48904, MFCD06411067, SBB050298, AKOS000732793, GS-3940, MCULE-3720911045, SB12961, AJ-26074, AK-76669, AM807029, BR-76669, DA-04595, SC-26391, SY011888, AB0026081, AB1008838, TX-018133, 4CH-007171, BB 0257709, FT-0683220, ST24027968, ST45028102, W7672, EN300-91135, MFCD06411067 (95%), C33059, S-5492, I04-4362, F8889-2823, Z1270630958, null, C6H10O2, CID1516411,

Complexity	94.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	114.068g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	114.144g/mol
Monoisotopic Mass	114.068g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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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