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JPB 35,3-Hydroxy-4-(methylamino)benzaldehyde,BRN 2087376,Benzaldehyde,

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摘 要:JPB 35,3-Hydroxy-4-(methylamino)benzaldehyde,BRN 2087376,Benzaldehyde, 3-hydroxy-4-(methylamino)-,LS-25074,54903-56-9, 3-hydroxy-4-methylaminobenzaldehyde,Canonical SMILES: CNC1=C(C=C(C=C1)C=O)O,InChI: InChI=1/C8H9NO2/c1-9-7-3-2-6(5-10)4-8(7)11/h2-5,
[Synonyms]
JPB 35
3-Hydroxy-4-(methylamino)benzaldehyde
BRN 2087376
Benzaldehyde, 3-hydroxy-4-(methylamino)-
LS-25074
54903-56-9

[Structure]
JPB 35,3-Hydroxy-4-(methylamino)benzaldehyde,BRN 2087376,Benzaldehyde,

[ Properties Computed from Structure]
Molecular Weight151.16256 [g/mol]
Molecular FormulaC8H9NO2
XLogP1.4
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count2
Tautomer Count10
Exact Mass151.063329
MonoIsotopic Mass151.063329
Topological Polar Surface Area49.3
Heavy Atom Count11
Formal Charge0
Complexity138
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 3-hydroxy-4-methylaminobenzaldehyde
Canonical SMILES: CNC1=C(C=C(C=C1)C=O)O
InChI: InChI=1/C8H9NO2/c1-9-7-3-2-6(5-10)4-8(7)11/h2-5,9,11H,1H3

 
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