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774-48-1 | (Diethoxymethyl)benzene
CAS No: 774-48-1 Catalog No: AG003O0F MDL No:MFCD00038525
Product Description
Catalog Number:
AG003O0F
Chemical Name:
(Diethoxymethyl)benzene
CAS Number:
774-48-1
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
MDL Number:
MFCD00038525
IUPAC Name:
diethoxymethylbenzene
InChI:
InChI=1S/C11H16O2/c1-3-12-11(13-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChI Key:
MAQMEXSLUSZDQM-UHFFFAOYSA-N
SMILES:
CCOC(c1ccccc1)OCC
EC Number:
212-265-1
UNII:
236M0R125W
NSC Number:
287
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.247g/mol
Monoisotopic Mass:
180.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| 2-Bromo-ethyl 2-chloro-6-methyl-quinoline-3-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20100401 |
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