AG00726C

13363-91-2 | 3-Isopropylcyclobutanecarboxylic acid

AG00726C

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CAS Number	13363-91-2
Catalog Number	AG00726C(AGN-PC-0JKIHG)
Chemical Name	3-Isopropylcyclobutanecarboxylic acid
IUPAC Name	3-propan-2-ylcyclobutane-1-carboxylic acid
InChI	InChI=1S/C8H14O2/c1-5(2)6-3-7(4-6)8(9)10/h5-7H,3-4H2,1-2H3,(H,9,10)
InChI Key	SIDXWUAGUXXTNA-UHFFFAOYSA-N
MDL Number	MFCD01734188
Molecular Formula	C8H14O2
Molecular Weight	142.1956
SMILES	O=C(C1CC(C(C)C)C1)O
Synonyms	3-isopropylcyclobutanecarboxylic acid, 13363-91-2, 3-Isopropyl-cyclobutanecarboxylic acid, 3-propan-2-ylcyclobutane-1-carboxylic acid, CYCLOBUTANECARBOXYLIC ACID, 3-ISOPROPYL-, 3-(1-Methylethyl)-cyclobutanecarboxylic acid, AC1L1A1O, SCHEMBL11462533, SCHEMBL12304003, SCHEMBL12385831, CTK8D3776, DTXSID20158279, ZINC2019680, MFCD01734188, 3-Isopropylcyclobutane carboxylic acid, AKOS006240752, AKOS006381840, AKOS006388070, AJ-32719, AS-39393, LS-55859, DB-062984, TC-071683, FT-0709828, 3-(propan-2-yl)cyclobutane-1-carboxylic acid, A25504, I14-13570, 3-Isopropyl-cyclobutan-carbonsaeure, CID25923, C8-H14-O2, ACN-039664, cis-3-Isopropylcyclobutanecarboxylic acid, 17269-13-5,

Complexity	134
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	142.099g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	142.198g/mol
Monoisotopic Mass	142.099g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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