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Home > Aldehydes > 126522-16-5
126522-16-5 | Benzaldehyde, 2-amino-3,6-dimethoxy-
CAS No: 126522-16-5 Catalog No: AG000SVB MDL No:MFCD03848397
Product Description
Catalog Number:
AG000SVB
Chemical Name:
Benzaldehyde, 2-amino-3,6-dimethoxy-
CAS Number:
126522-16-5
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD03848397
IUPAC Name:
2-amino-3,6-dimethoxybenzaldehyde
InChI:
InChI=1S/C9H11NO3/c1-12-7-3-4-8(13-2)9(10)6(7)5-11/h3-5H,10H2,1-2H3
InChI Key:
QKEMEAAMUKZVAR-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1N)C=O)OC
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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