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1782-47-4

1782-47-4 | 1,2-Benzenediol, 5-(3-hydroxy-1-propen-1-yl)-3-methoxy-

CAS No: 1782-47-4 Catalog No: AG0025U1 MDL No:

Product Description

Catalog Number:
AG0025U1
Chemical Name:
1,2-Benzenediol, 5-(3-hydroxy-1-propen-1-yl)-3-methoxy-
CAS Number:
1782-47-4
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
IUPAC Name:
5-[(E)-3-hydroxyprop-1-enyl]-3-methoxybenzene-1,2-diol
InChI:
InChI=1S/C10H12O4/c1-14-9-6-7(3-2-4-11)5-8(12)10(9)13/h2-3,5-6,11-13H,4H2,1H3/b3-2+
InChI Key:
NPNAJGCZQBQWQZ-NSCUHMNNSA-N
SMILES:
OCC=Cc1cc(O)c(c(c1)OC)O

Properties

Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
196.074g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
196.202g/mol
Monoisotopic Mass:
196.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

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