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122294-80-8 | Benzene, 1-methyl-3-(trimethoxymethyl)-
CAS No: 122294-80-8 Catalog No: AG00171S MDL No:
Product Description
Catalog Number:
AG00171S
Chemical Name:
Benzene, 1-methyl-3-(trimethoxymethyl)-
CAS Number:
122294-80-8
Molecular Formula:
C11H16O3
Molecular Weight:
196.2429
IUPAC Name:
1-methyl-3-(trimethoxymethyl)benzene
InChI:
InChI=1S/C11H16O3/c1-9-6-5-7-10(8-9)11(12-2,13-3)14-4/h5-8H,1-4H3
InChI Key:
SIVSDJPNOWRKSA-UHFFFAOYSA-N
SMILES:
COC(c1cccc(c1)C)(OC)OC
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.246g/mol
Monoisotopic Mass:
196.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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