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831171-98-3 | Butanamide, N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-
CAS No: 831171-98-3 Catalog No: AG004WR5 MDL No:
Product Description
Catalog Number:
AG004WR5
Chemical Name:
Butanamide, N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-
CAS Number:
831171-98-3
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
IUPAC Name:
N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]butanamide
InChI:
InChI=1S/C12H17NO3/c1-2-4-12(16)13-8-11(15)9-5-3-6-10(14)7-9/h3,5-7,11,14-15H,2,4,8H2,1H3,(H,13,16)
InChI Key:
PTCREKLAHHCVKK-UHFFFAOYSA-N
SMILES:
CCCC(=O)NCC(c1cccc(c1)O)O
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
223.272g/mol
Monoisotopic Mass:
223.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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