AG00C117

400745-03-1 | 3-(5-Methyl-2-furanyl)benzaldehyde

AG00C117

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CAS Number	400745-03-1
Catalog Number	AG00C117(AGN-PC-0WB39Z)
Chemical Name	3-(5-Methyl-2-furanyl)benzaldehyde
IUPAC Name	3-(5-methylfuran-2-yl)benzaldehyde
InChI	InChI=1S/C12H10O2/c1-9-5-6-12(14-9)11-4-2-3-10(7-11)8-13/h2-8H,1H3
InChI Key	GYXOZCFCYNADKN-UHFFFAOYSA-N
MDL Number	MFCD03030047
Molecular Formula	C12H10O2
Molecular Weight	186.2066
SMILES	O=Cc1cccc(c1)c1ccc(o1)C
Synonyms	3-(5-methyl-2-furyl)benzaldehyde, 3-(5-methylfuran-2-yl)benzaldehyde, 400745-03-1, AC1MCL7V, CTK4I2394, DTXSID60378212, ZINC2505855, 5221AH, BBL000541, MFCD03030047, STK039275, AKOS004117081, MCULE-7263953933, 3-(5-Methyl-furan-2-yl)-benzaldehyde, AJ-36082, BB 0224088, 3-(5-Methyl-2-furyl)benzaldehyde, AldrichCPR, W-9981, C12H10O2, ZINC02505855, CID2772296,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.068g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	186.21g/mol
Monoisotopic Mass	186.068g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	30.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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