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127657-97-0 | Benzene, [(2,2-dimethoxyethoxy)methyl]-
CAS No: 127657-97-0 Catalog No: AG000X9O MDL No:MFCD00082233
Product Description
Catalog Number:
AG000X9O
Chemical Name:
Benzene, [(2,2-dimethoxyethoxy)methyl]-
CAS Number:
127657-97-0
Molecular Formula:
C11H16O3
Molecular Weight:
196.2429
MDL Number:
MFCD00082233
IUPAC Name:
2,2-dimethoxyethoxymethylbenzene
InChI:
InChI=1S/C11H16O3/c1-12-11(13-2)9-14-8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChI Key:
QITBBLPNYKECAZ-UHFFFAOYSA-N
SMILES:
COC(COCc1ccccc1)OC
Properties
Complexity:
129
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:
6
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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