AG00C6LS

3469-06-5 | Benzocyclobutenone

AG00C6LS

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CAS Number	3469-06-5
Catalog Number	AG00C6LS(AGN-PC-0JMPT0)
Chemical Name	Benzocyclobutenone
IUPAC Name	bicyclo[4.2.0]octa-1,3,5-trien-7-one
InChI	InChI=1S/C8H6O/c9-8-5-6-3-1-2-4-7(6)8/h1-4H,5H2
InChI Key	XOGFXHMYHKGOGP-UHFFFAOYSA-N
MDL Number	MFCD01652340
Molecular Formula	C8H6O
Molecular Weight	118.1326
NSC Number	146572
SMILES	C1=CC=CC2=C1CC2=O
Synonyms	Benzocyclobutenone, Bicyclo[4.2.0]octa-1,3,5-trien-7-one, 3469-06-5, Benzocyclobuten-1(2H)-one, XOGFXHMYHKGOGP-UHFFFAOYSA-N, AK-72898, Bicyclo(4.2.0)octa-1,3,5-trien-7-one, AC-101, NSC146572, AC1L3BQM, Benzocyclobutene-1(2H)-one, SCHEMBL569873, CTK1C5358, DTXSID90188240, KS-00000F8X, ZINC1728837, ANW-50064, FCH833442, MFCD01652340, AKOS004907543, CS-W022591, DS-1267, MCULE-3909746877, NSC-146572, Bicyclo[4.2.0]octa-1,5-trien-7-one, AJ-31160, AN-16167, BC225121, BR-72898, CJ-06922, 7-Oxobicyclo[4.2.0]octa-1,3,5-triene, AX8105459, ST2412677, TR-014347, 4CH-006715, AM20040230, W5628, S-6898, 469B065, 1-Azetidinepropanamine, D02KYP, C8H6O, CID137953, Gabapentin prodrug (neuropathic pain), TWi Pharmaceuticals,

Complexity	140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	118.042g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	118.135g/mol
Monoisotopic Mass	118.042g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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