AG0081PL

112892-88-3 | Bicyclo[4.2.0]octa-1,3,5-triene-3-carboxaldehyde

AG0081PL

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CAS Number	112892-88-3
Catalog Number	AG0081PL(AGN-PC-00H0Q2)
Chemical Name	Bicyclo[4.2.0]octa-1,3,5-triene-3-carboxaldehyde
IUPAC Name	bicyclo[4.2.0]octa-1(6),2,4-triene-3-carbaldehyde
InChI	InChI=1S/C9H8O/c10-6-7-1-2-8-3-4-9(8)5-7/h1-2,5-6H,3-4H2
InChI Key	OIVKWICRTVJWFO-UHFFFAOYSA-N
MDL Number	MFCD09752659
Molecular Formula	C9H8O
Molecular Weight	132.1592
SMILES	O=CC1=CC=C2CCC2=C1
Synonyms	112892-88-3, bicyclo[4.2.0]octa-1,3,5-triene-3-carbaldehyde, Bicyclo[4.2.0]octa-1,3,5-triene-3-carboxaldehyde, AK160835, bicyclo[4.2.0]octa-1(6),2,4-triene-4-carbaldehyde, ACMC-20mh4o, 4-carbaldehydebenzocyclobutene, SCHEMBL2609180, CTK0I2961, DTXSID90473966, KS-00000K9D, AC-208, MFCD09842341, ZINC22013196, AKOS024462896, CC-1224, DS-9796, FCH1992951, AJ-80538, AN-16071, AM20020217, FT-0687162, ST24046149, BICYCLO[4.2.0]OCTA-1(6),2,4-TRIENE-3-CARBALDEHYDE, 4-carboxaldehydebenzocyclobutene, CID11829483, Bicyclo[4.2.0]octa-2,4,9-triene-3-carbaldehyde,

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	132.058g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	132.162g/mol
Monoisotopic Mass	132.058g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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