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Home > Aldehydes > 116546-04-4
116546-04-4 | Benzaldehyde, 3-[(dimethylamino)methyl]-4-hydroxy-
CAS No: 116546-04-4 Catalog No: AG000CQJ MDL No:MFCD07186317
Product Description
Catalog Number:
AG000CQJ
Chemical Name:
Benzaldehyde, 3-[(dimethylamino)methyl]-4-hydroxy-
CAS Number:
116546-04-4
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD07186317
IUPAC Name:
3-[(dimethylamino)methyl]-4-hydroxybenzaldehyde
InChI:
InChI=1S/C10H13NO2/c1-11(2)6-9-5-8(7-12)3-4-10(9)13/h3-5,7,13H,6H2,1-2H3
InChI Key:
RONWGSMHSGHRJS-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)CN(C)C)O
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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