Home Other Building Blocks 3-[(2-hydroxy-4-methylphenyl)formamido]propanoic acid

3-[(2-hydroxy-4-methylphenyl)formamido]propanoic acid

CAS No.:
1016720-46-9
Catalog Number:
AG01A9D3
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
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Product Description
Catalog Number:
AG01A9D3
Chemical Name:
3-[(2-hydroxy-4-methylphenyl)formamido]propanoic acid
CAS Number:
1016720-46-9
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
MDL Number:
MFCD09931846
IUPAC Name:
3-[(2-hydroxy-4-methylbenzoyl)amino]propanoic acid
InChI:
InChI=1S/C11H13NO4/c1-7-2-3-8(9(13)6-7)11(16)12-5-4-10(14)15/h2-3,6,13H,4-5H2,1H3,(H,12,16)(H,14,15)
InChI Key:
IJMKWUWHMJMDSS-UHFFFAOYSA-N
SMILES:
OC(=O)CCNC(=O)c1ccc(cc1O)C
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties