AG003JE3

492-88-6 | 3-Ethoxy-2-Hydroxybenzaldehyde

AG003JE3

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CAS Number	492-88-6
Catalog Number	AG003JE3(AGN-PC-0JL89G)
Chemical Name	3-Ethoxy-2-Hydroxybenzaldehyde
EC Number	207-765-1
IUPAC Name	3-ethoxy-2-hydroxybenzaldehyde
InChI	InChI=1S/C9H10O3/c1-2-12-8-5-3-4-7(6-10)9(8)11/h3-6,11H,2H2,1H3
InChI Key	OFQBYHLLIJGMNP-UHFFFAOYSA-N
MDL Number	MFCD00003323
Molecular Formula	C9H10O3
Molecular Weight	166.1739
NSC Number	133446
SMILES	O=CC1=CC=CC(OCC)=C1O
UNII	HB4H48MKNI
Synonyms	3-Ethoxy-2-hydroxybenzaldehyde, 3-Ethoxysalicylaldehyde, 492-88-6, Benzaldehyde, 3-ethoxy-2-hydroxy-, Novovanillin, O-Ethylvanillin, Salicylaldehyde, 3-ethoxy-, 2-Hydroxy-3-ethoxybenzaldehyde, UNII-HB4H48MKNI, EINECS 207-765-1, HB4H48MKNI, NSC 133446, BRN 2048368, AI3-08100, 3-ethoxy-2-hydroxy-benzaldehyde, OFQBYHLLIJGMNP-UHFFFAOYSA-N, MFCD00003323, NSC133446, PubChem3123, ACMC-209kfn, AC1Q37XQ, 4-08-00-01748 (Beilstein Handbook Reference), 3-Ethoxy-2-hydroxybenzaldehye, SCHEMBL172818, 3-Ethoxysalicylaldehyde, 97%, AC1L292D, DTXSID3060083, CTK4J1225, 3-ethoxy-2-oxidanyl-benzaldehyde, 2-ETHOXY-6-FORMYL PHENOL, Benzaldehyde,3-ethoxy-2-hydroxy-, ALBB-025895, Salicylaldehyde, 3-ethoxy- (8CI), ZINC1720165, ANW-30753, BBL023426, SBB008590, STL185557, AKOS000119709, FR-2300, MCULE-1346068512, NSC-133446, TRA0042989, 3 - Ethoxy - 2 - hydroxybenzaldehyde, KS-000014L1, AJ-30977, BC675919, CJ-29202, LS-25040, DB-051620, TR-017785, E0253, FT-0615640, R1062, ST45029067, A827693, I01-5434, F2190-0623, InChI=1/C9H10O3/c1-2-12-8-5-3-4-7(6-10)9(8)11/h3-6,11H,2H2,1H, CID68117, C9-H10-O3, 3-Ethoxysalicylaldehyde, 97% - 250G 250g,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.063g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	166.176g/mol
Monoisotopic Mass	166.063g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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