AG003K9Z

5736-91-4 | 4-(Pentyloxy)benzaldehyde

AG003K9Z

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CAS Number	5736-91-4
Catalog Number	AG003K9Z(AGN-PC-0JLS9I)
Chemical Name	4-(Pentyloxy)benzaldehyde
EC Number	227-250-5
IUPAC Name	4-pentoxybenzaldehyde
InChI	InChI=1S/C12H16O2/c1-2-3-4-9-14-12-7-5-11(10-13)6-8-12/h5-8,10H,2-4,9H2,1H3
InChI Key	YAPVGSXODFOBBR-UHFFFAOYSA-N
MDL Number	MFCD00014135
Molecular Formula	C12H16O2
Molecular Weight	192.2542
NSC Number	69105
SMILES	C1=CC(=CC=C1OCCCCC)C=O
UNII	PL312YEG7F
Synonyms	4-(Pentyloxy)benzaldehyde, 5736-91-4, 4-Amyloxybenzaldehyde, 4-Pentoxybenzaldehyde, p-Pentyloxybenzaldehyde, Benzaldehyde, 4-(pentyloxy)-, 4-Pentyloxybenzaldehyde, 4-n-Amyloxybenzaldehyde, 4-n-Pentyloxybenzaldehyde, Benzaldehyde, p-(pentyloxy)-, p-Amyloxy benzaldehyde, p-(Pentyloxy)benzaldehyde, p-Amyloxybenzaldehyde, p-n-Amyloxybenzaldehyde, UNII-PL312YEG7F, PL312YEG7F, YAPVGSXODFOBBR-UHFFFAOYSA-N, MFCD00014135, NSC69105, EINECS 227-250-5, p-Pentoxybenzaldehyde, NSC 69105, ACMC-209lxp, AI3-05786, 4-PentYl-Oxybenzaldehyde, AC1Q2WO8, AC1Q6Q7O, Benzaldehyde,4-(pentyloxy)-, ZERENEX ZX009706, AC1L2Y79, SCHEMBL1443663, DTXSID5063994, CTK5A6743, TIMTEC-BB SBB008032, ALBB-001162, ZINC1695467, AKOS BBS-00003277, 5885AE, 8437AB, 8438AB, ANW-32699, BBL027803, NSC-69105, SBB008032, STK400290, AKOS000202244, AS03943, FR-0786, MCULE-2891846234, VZ28338, KS-0000137M, OTAVA-BB 7020401743, AJ-30289, AK110806, CJ-28446, DB-053040, TR-020033, A0707, FT-0635829, R1284, ST24028823, ST45028140, F1997-0006, 4-(Hexyloxy)benzaldehyde, C9H10BrNO2, C12H16O2, C13H18O2, CID79815, AR-1G4317, C12-H16-O2, METHYL 6-AMINO-3-BROMO-2-METHYLBENZOATE, 5736-94-7, 573692-58-7, 5909-74-0,

Complexity	148
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.115g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	192.258g/mol
Monoisotopic Mass	192.115g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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