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487-11-6 | 5-Allyl-1,2,3-trimethoxybenzene
CAS No: 487-11-6 Catalog No: AG003MBY MDL No:MFCD01656688
Product Description
Catalog Number:
AG003MBY
Chemical Name:
5-Allyl-1,2,3-trimethoxybenzene
CAS Number:
487-11-6
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD01656688
IUPAC Name:
1,2,3-trimethoxy-5-prop-2-enylbenzene
InChI:
InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5,7-8H,1,6H2,2-4H3
InChI Key:
BPLQKQKXWHCZSS-UHFFFAOYSA-N
SMILES:
C=CCc1cc(OC)c(c(c1)OC)OC
EC Number:
207-649-0
UNII:
HSZ191AKAN
NSC Number:
16704
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
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