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76209-00-2 | 3-Butyramidobenzoic acid
CAS No: 76209-00-2 Catalog No: AG00577K MDL No:MFCD00448227
Product Description
Catalog Number:
AG00577K
Chemical Name:
3-Butyramidobenzoic acid
CAS Number:
76209-00-2
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
MDL Number:
MFCD00448227
IUPAC Name:
3-(butanoylamino)benzoic acid
InChI:
InChI=1S/C11H13NO3/c1-2-4-10(13)12-9-6-3-5-8(7-9)11(14)15/h3,5-7H,2,4H2,1H3,(H,12,13)(H,14,15)
InChI Key:
ASXLJZIPYBUVFW-UHFFFAOYSA-N
SMILES:
CCCC(=O)Nc1cccc(c1)C(=O)O
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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