AG00ID4A

80407-64-3 | 3,4-Bis(2-methoxyethoxy)benzaldehyde

AG00ID4A

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CAS Number	80407-64-3
Catalog Number	AG00ID4A(AGN-PC-00SBFY)
Chemical Name	3,4-Bis(2-methoxyethoxy)benzaldehyde
IUPAC Name	3,4-bis(2-methoxyethoxy)benzaldehyde
InChI	InChI=1S/C13H18O5/c1-15-5-7-17-12-4-3-11(10-14)9-13(12)18-8-6-16-2/h3-4,9-10H,5-8H2,1-2H3
InChI Key	GPEGMQBVLGNIMY-UHFFFAOYSA-N
MDL Number	MFCD06655865
Molecular Formula	C13H18O5
Molecular Weight	254.2790
SMILES	O=CC1=CC=C(OCCOC)C(OCCOC)=C1
Synonyms	3,4-bis(2-methoxyethoxy)benzaldehyde, 80407-64-3, 3-4-bis(2-methoxyethoxy) benzaldehyde, AK163020, SCHEMBL482374, KS-00000SNY, DTXSID20581644, GPEGMQBVLGNIMY-UHFFFAOYSA-N, MFCD25562935, ZINC34964905, AKOS024462440, 3,4-bis-(2-methoxyethoxy)benzaldehyde, DS-7942, QC-8960, RL05095, 3,4-Bis-(2-methoxy-ethoxy)-benzaldehyde, AX8294821, FT-0696500, Z6177, J-511492, C13H18O5,

Complexity	221
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	254.115g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	254.282g/mol
Monoisotopic Mass	254.115g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	54A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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