AG003EMD

37828-19-6 | 1-Phenylcyclobutanecarboxylic acid

AG003EMD

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CAS Number	37828-19-6
Catalog Number	AG003EMD(AGN-PC-0JP2UN)
Chemical Name	1-Phenylcyclobutanecarboxylic acid
IUPAC Name	1-phenylcyclobutane-1-carboxylic acid
InChI	InChI=1S/C11H12O2/c12-10(13)11(7-4-8-11)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,13)
InChI Key	JHZRNLRTNIDFKG-UHFFFAOYSA-N
MDL Number	MFCD00019262
Molecular Formula	C11H12O2
Molecular Weight	176.2118
NSC Number	125693
SMILES	O=C(C1(C2=CC=CC=C2)CCC1)O
Synonyms	1-Phenylcyclobutanecarboxylic acid, 37828-19-6, 1-phenylcyclobutane-1-carboxylic acid, Cyclobutanecarboxylic acid, 1-phenyl-, 1-Phenyl-cyclobutanecarboxylic acid, MFCD00019262, PubChem19469, AC1L5LDL, AC1Q5UJX, ACMC-1ADI1, AC1Q71ZC, SCHEMBL1667343, 1-PhenylcyclobutanecarboxylicAcid, CTK1C2443, DTXSID00298743, JHZRNLRTNIDFKG-UHFFFAOYSA-N, Phenylcyclobutane-1-carboxylic acid, KS-00000CA1, ZINC1714722, 1-Phenyl-cyclobutane-carboxylic acid, 1983AE, ANW-28738, CP-576, NSC125693, SBB052649, 1-phenyl-1-cyclobutanecarboxylic acid, AKOS005136986, AB01258, AC-4366, CS-W000755, MCULE-3885947432, NSC-125693, PS-4233, TRA0043125, 1-(Phenyl)cyclobutane-1-carboxylic acid, AJ-30838, AK-82776, AN-12046, SC-27362, SY001010, AB0065133, TX-016004, ST24038178, ST50949551, 1-phenylcyclobutanecarboxylic acid, AldrichCPR, EN300-14948, K-8308, MFCD00019262 (97+%), 828P196, J-505086, I14-16947, C11H12O2, AR-1C5297, CID277171, 3808-93-3,

Complexity	200
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	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number