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6635-20-7 | 4-Hydroxy-3-Methoxy-5-Nitrobenzaldehyde
CAS No: 6635-20-7 Catalog No: AG003LHT MDL No:MFCD00007118
Product Description
Catalog Number:
AG003LHT
Chemical Name:
4-Hydroxy-3-Methoxy-5-Nitrobenzaldehyde
CAS Number:
6635-20-7
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
MDL Number:
MFCD00007118
IUPAC Name:
4-hydroxy-3-methoxy-5-nitrobenzaldehyde
InChI:
InChI=1S/C8H7NO5/c1-14-7-3-5(4-10)2-6(8(7)11)9(12)13/h2-4,11H,1H3
InChI Key:
ZEHYRTJBFMZHCY-UHFFFAOYSA-N
SMILES:
O=Cc1cc(OC)c(c(c1)N(=O)=O)O
EC Number:
229-633-2
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.032g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.146g/mol
Monoisotopic Mass:
197.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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