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68671-47-6

68671-47-6 | Benzenepropanoic acid, a-hydroxy-4-nitro-, (R)-

CAS No: 68671-47-6 Catalog No: AG01FN6C MDL No:

Product Description

Catalog Number:
AG01FN6C
Chemical Name:
Benzenepropanoic acid, a-hydroxy-4-nitro-, (R)-
CAS Number:
68671-47-6
IUPAC Name:
2-hydroxy-3-(4-nitrophenyl)propanoic acid
InChI:
InChI=1S/C9H9NO5/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,11H,5H2,(H,12,13)
InChI Key:
JUHYZGPSJIUDDU-UHFFFAOYSA-N

Properties

Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.048g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
211.173g/mol
Monoisotopic Mass:
211.048g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

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