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13709-05-2 | Benzaldehyde, 3-(methoxymethoxy)-
CAS No: 13709-05-2 Catalog No: AG0012UN MDL No:MFCD04038425
Product Description
Catalog Number:
AG0012UN
Chemical Name:
Benzaldehyde, 3-(methoxymethoxy)-
CAS Number:
13709-05-2
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
MDL Number:
MFCD04038425
IUPAC Name:
3-(methoxymethoxy)benzaldehyde
InChI:
InChI=1S/C9H10O3/c1-11-7-12-9-4-2-3-8(5-9)6-10/h2-6H,7H2,1H3
InChI Key:
JAFJNSQISURLCX-UHFFFAOYSA-N
SMILES:
COCOc1cccc(c1)C=O
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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