AG0017VF

13803-39-9 | 2-Furancarboxaldehyde, 5-phenyl-

AG0017VF

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CAS Number	13803-39-9
Catalog Number	AG0017VF(AGN-PC-0KKTE7)
Chemical Name	2-Furancarboxaldehyde, 5-phenyl-
IUPAC Name	5-phenylfuran-2-carbaldehyde
InChI	InChI=1S/C11H8O2/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-8H
InChI Key	BMJHNNPEPBZULA-UHFFFAOYSA-N
MDL Number	MFCD01910161
Molecular Formula	C11H8O2
Molecular Weight	172.1800
SMILES	O=Cc1ccc(o1)c1ccccc1
Synonyms	5-Phenyl-2-furaldehyde, 13803-39-9, 2-Formyl-5-phenylfuran, 5-phenylfuran-2-carbaldehyde, 5-Phenyl-furan-2-carbaldehyde, 5-phenylfurfural, 5-Phenyl-2-furaldehyde, 96%, 2-Furancarboxaldehyde,5-phenyl-, 5-phenylfuraldehyde, AC1MCGZP, AC1Q6PTU, ACMC-209y7p, SCHEMBL622653, 5-phenyl-2-furancarboxaldehyde, CTK3J0656, DTXSID20377726, 2-Furancarboxaldehyde, 5-phenyl-, BMJHNNPEPBZULA-UHFFFAOYSA-N, SP610, ACT08446, ZINC2575777, ANW-48611, BBL029514, GEO-02118, MFCD01910161, SBB084102, STK802971, AKOS000113829, MCULE-2412938939, TRA0094932, VZ30543, KS-000019S2, AC-18709, AJ-42435, BR-46579, SY101277, AB0005089, DB-042408, RT-004681, BB 0222879, FT-0620756, W3007, MFCD01910161 (97%), S-3403, A807328, W-200111, I14-33621, C11H8O2, ZINC02575777, CID2769420,

Complexity	173
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.052g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	172.183g/mol
Monoisotopic Mass	172.052g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	30.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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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