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112396-12-0 | Benzaldehyde, 2-(2,2-dimethoxyethyl)-
CAS No: 112396-12-0 Catalog No: AG0082O4 MDL No:
Product Description
Catalog Number:
AG0082O4
Chemical Name:
Benzaldehyde, 2-(2,2-dimethoxyethyl)-
CAS Number:
112396-12-0
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
IUPAC Name:
2-(2,2-dimethoxyethyl)benzaldehyde
InChI:
InChI=1S/C11H14O3/c1-13-11(14-2)7-9-5-3-4-6-10(9)8-12/h3-6,8,11H,7H2,1-2H3
InChI Key:
ZKTPVOMHZNFPPA-UHFFFAOYSA-N
SMILES:
COC(Cc1ccccc1C=O)OC
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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