AG001IF4

14381-41-0 | bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid

AG001IF4

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CAS Number	14381-41-0
Catalog Number	AG001IF4(AGN-PC-0JON0J)
Chemical Name	bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid
IUPAC Name	bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid
InChI	InChI=1S/C9H8O2/c10-9(11)8-5-6-3-1-2-4-7(6)8/h1-4,8H,5H2,(H,10,11)
InChI Key	NYOXTUZNVYEODT-UHFFFAOYSA-N
MDL Number	MFCD00001351
Molecular Formula	C9H8O2
Molecular Weight	148.1586
NSC Number	186237
SMILES	O=C(C1C2=CC=CC=C2C1)O
Synonyms	14381-41-0, Bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid, 1-carboxyl benzocyclobutene, Benzocyclobutyl-1-carboxylic acid, NYOXTUZNVYEODT-UHFFFAOYSA-N, 1,2-dihydrocyclobutabenzene-1-carboxylic acid, C9H8O2, NSC186237, 1-Carboxylbenzocyclobutene, 163222-90-0, AC1L709G, SCHEMBL2083786, CTK0H0875, Benzocyclobutane-1-carboxylic acid, AC-210, CC-935, MFCD00001351, SBB053554, AKOS004907921, MCULE-2291823504, NE10092, NSC-186237, 1-Benzocyclobutenecarboxylic acid, 99%, 1,2-dihydrocyclobuta[1,2-a]benzoic acid, AN-16073, BC225119, BS-13552, K945, AM20020490, FT-0637070, ST24046150, 1,2-Dihydrobenzocyclobutene-1-carboxylic acid, 1,2-dihydrocyclobutabenzene-2-carboxylic acid, EN300-81945, 381B410, A808114, 7-bicyclo[4.2.0]octa-1,3,5-trienecarboxylic acid, I14-4691, J-007872, bicyclo[4.2.0]octa-1,3,5-triene-8-carboxylic acid, F9994-0685, bicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid, Bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylicacid, (-)-, Bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid, (-)-, 1-Benzocyclobutenecarboxylic acid, C9H6O2, CID302324, Bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid, (+)- (9CI), Bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid, (-)- (9CI), 163222-89-7, Bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid (6CI,7CI,8CI,9CI),

Complexity	176
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	148.052g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	148.161g/mol
Monoisotopic Mass	148.052g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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