AG00FHMU

66016-28-2 | Cyclobutanecarboxyli​c acid, 3-​phenyl-

AG00FHMU

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CAS Number	66016-28-2
Catalog Number	AG00FHMU(AGN-PC-0JKW5L)
Chemical Name	Cyclobutanecarboxyli​c acid, 3-​phenyl-
IUPAC Name	3-phenylcyclobutane-1-carboxylic acid
InChI	InChI=1S/C11H12O2/c12-11(13)10-6-9(7-10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13)
InChI Key	KOSJHQBPJQYNTB-UHFFFAOYSA-N
MDL Number	MFCD01734191
Molecular Formula	C11H12O2
Molecular Weight	176.2118
SMILES	C(=O)(O)C1CC(C1)c1ccccc1
Synonyms	3-phenylcyclobutane-1-carboxylic acid, 66016-28-2, 3-Phenylcyclobutanecarboxylic acid, 3-Phenyl-cyclobutanecarboxylic acid, CYCLOBUTANECARBOXYLIC ACID, 3-PHENYL-, AC1L2ISO, SCHEMBL717453, AC1Q74B9, SCHEMBL7388336, SCHEMBL11665023, DTXSID70216232, KOSJHQBPJQYNTB-UHFFFAOYSA-N, 3-phenylcyclobutane carboxylic acid, ZINC1845020, MFCD01734191, AKOS010867517, CS-W000558, MCULE-6473740503, NE38163, SB18579, trans-3-phenylcyclobutanecarboxylic acid, 16204-48-1, AK320445, BS-13861, DA-19142, LS-55863, FT-0750860, EN300-56880, (1s,3s)-3-phenylcyclobutane-1-carboxylic acid, cis, Z1259087019, CID47806, cis-3-phenylcyclobutanecarboxylic acid, C11-H12-O2,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.084g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	176.215g/mol
Monoisotopic Mass	176.084g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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