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22973-79-1 | Benzeneacetaldehyde, 2,4,5-trimethoxy-
CAS No: 22973-79-1 Catalog No: AG002LRS MDL No:
Product Description
Catalog Number:
AG002LRS
Chemical Name:
Benzeneacetaldehyde, 2,4,5-trimethoxy-
CAS Number:
22973-79-1
Molecular Formula:
C11H14O4
Molecular Weight:
210.2265
IUPAC Name:
2-(2,4,5-trimethoxyphenyl)acetaldehyde
InChI:
InChI=1S/C11H14O4/c1-13-9-7-11(15-3)10(14-2)6-8(9)4-5-12/h5-7H,4H2,1-3H3
InChI Key:
GQVQIDNOGMVDMN-UHFFFAOYSA-N
SMILES:
O=CCc1cc(OC)c(cc1OC)OC
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.089g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.229g/mol
Monoisotopic Mass:
210.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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