AG000Q01

120-25-2 | Benzaldehyde, 4-​ethoxy-​3-​methoxy-

AG000Q01

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CAS Number	120-25-2
Catalog Number	AG000Q01(AGN-PC-0JL7M0)
Chemical Name	Benzaldehyde, 4-​ethoxy-​3-​methoxy-
EC Number	204-382-1
IUPAC Name	4-ethoxy-3-methoxybenzaldehyde
InChI	InChI=1S/C10H12O3/c1-3-13-9-5-4-8(7-11)6-10(9)12-2/h4-7H,3H2,1-2H3
InChI Key	BERFDQAMXIBOHM-UHFFFAOYSA-N
MDL Number	MFCD00016614
Molecular Formula	C10H12O3
Molecular Weight	180.2005
SMILES	O(CC)c1c(OC)cc(cc1)C=O
Synonyms	4-Ethoxy-3-methoxybenzaldehyde, 120-25-2, 4-Ethoxy-3-anisaldehyde, 4-Ethoxy-m-anisaldehyde, Benzaldehyde, 4-ethoxy-3-methoxy-, ASISCHEM N42243, 4-ethoxy-3-methoxy-benzaldehyde, AKOS B028863, BERFDQAMXIBOHM-UHFFFAOYSA-N, vanillin ethyl ether, Ethylvanillin?, 4-Ethoxyvanillin, NSC16945, EINECS 204-382-1, MFCD00016614, NSC 16945, PubChem2648, AI3-21263, bmse010097, AC1L26VQ, AC1Q35VL, AC1Q6Q4I, ACMC-1CA84, SCHEMBL356800, 3-methoxy-4-ethoxybenzaldehyde, otava-bb bb7020401731, 3-methoxy-4-ethoxy-benzaldehyde, DTXSID3059509, CTK4B1764, TIMTEC-BB SBB016655, ATTERCOP-CHM AT110171, Benzaldehyde,4-ethoxy-3-methoxy-, ART-CHEM-BB B028863, ACT09708, ALBB-007462, NSC62097, ZINC1410681, AKOS BBS-00003242, ANW-17480, BBL023007, CE-234, LABOTEST-BB LT00247581, NSC-16945, NSC-62097, SBB016655, STK036493, 4-Ethoxy-3-methoxybenzaldehyde, 95%, 4-Ethoxy-3-methoxybenzaldehyde, 98%, AKOS000119708, AS03876, MCULE-9250197430, VZ28940, OTAVA-BB 7020401731, AJ-25731, AK-81418, AN-22818, CJ-23287, SY048300, DB-041546, TR-003364, E0406, FT-0618376, R1330, ST24029072, ST45154521, X6487, MFCD00016614 (97%), AG-205/01773011, I01-3073, J-004289, F1791-0527, InChI=1/C10H12O3/c1-3-13-9-5-4-8(7-11)6-10(9)12-2/h4-7H,3H2,1-2H, ethyl-vanillin, ETHYL VANILLIN, C10H12O3, CID67116, AR-1G2140, C10-H12-O3, 12093-10-6,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.079g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	180.203g/mol
Monoisotopic Mass	180.079g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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