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100390-76-9 | Benzoic acid, 4-[(1-oxopentyl)amino]-
CAS No: 100390-76-9 Catalog No: AG0001VI MDL No:MFCD01365923
Product Description
Catalog Number:
AG0001VI
Chemical Name:
Benzoic acid, 4-[(1-oxopentyl)amino]-
CAS Number:
100390-76-9
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD01365923
IUPAC Name:
4-(pentanoylamino)benzoic acid
InChI:
InChI=1S/C12H15NO3/c1-2-3-4-11(14)13-10-7-5-9(6-8-10)12(15)16/h5-8H,2-4H2,1H3,(H,13,14)(H,15,16)
InChI Key:
SBQFPXHBAJDVLV-UHFFFAOYSA-N
SMILES:
CCCCC(=O)Nc1ccc(cc1)C(=O)O
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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