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Home > Aldehydes > 161039-59-4
161039-59-4 | Benzaldehyde, 4-amino-2,5-dimethoxy-
CAS No: 161039-59-4 Catalog No: AG001VLW MDL No:MFCD20717878
Product Description
Catalog Number:
AG001VLW
Chemical Name:
Benzaldehyde, 4-amino-2,5-dimethoxy-
CAS Number:
161039-59-4
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD20717878
IUPAC Name:
4-amino-2,5-dimethoxybenzaldehyde
InChI:
InChI=1S/C9H11NO3/c1-12-8-4-7(10)9(13-2)3-6(8)5-11/h3-5H,10H2,1-2H3
InChI Key:
IQSSYDHWCFYQRU-UHFFFAOYSA-N
SMILES:
O=Cc1cc(OC)c(cc1OC)N
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:
0.6
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