| CAS Number | 5779-98-6 |
| Catalog Number | AG00ELWN(AGN-PC-0JU74O) |
| Chemical Name | 4-Methoxy-3-methoxymethoxy-benzaldehyde |
| IUPAC Name | 4-methoxy-3-(methoxymethoxy)benzaldehyde |
| InChI | InChI=1S/C10H12O4/c1-12-7-14-10-5-8(6-11)3-4-9(10)13-2/h3-6H,7H2,1-2H3 |
| InChI Key | XALCXORBYJTCRY-UHFFFAOYSA-N |
| MDL Number | MFCD21195355 |
| Molecular Formula | C10H12O4 |
| Molecular Weight | 196.1999 |
| SMILES | O=CC1=CC=C(OC)C(OCOC)=C1 |
| Synonyms | 4-methoxy-3-(methoxymethoxy)benzaldehyde,
5779-98-6,
benzaldehyde,4-methoxy-3-(methoxymethoxy)-,
benzaldehyde, 4-methoxy-3-(methoxymethoxy)-,
AC1LD022,
SCHEMBL3394561,
CTK1F1233,
DTXSID60348697,
XALCXORBYJTCRY-UHFFFAOYSA-N,
ZINC32299167,
4-methoxy-3-methoxymethoxybenzaldehyde,
AKOS014700831,
3-(Methoxymethoxy)-4-methoxybenzaldehyde,
M3066,
A1-05007,
InChI=1/C10H12O4/c1-12-7-14-10-5-8(6-11)3-4-9(10)13-2/h3-6H,7H2,1-2H,
CID640152,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.202g/mol |
| Monoisotopic Mass | 196.074g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number