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915923-42-1 | 3-[(3,3-DIMETHYLBUTANOYL)AMINO]BENZOIC ACID
CAS No: 915923-42-1 Catalog No: AG006GJ3 MDL No:MFCD08569894
Product Description
Catalog Number:
AG006GJ3
Chemical Name:
3-[(3,3-DIMETHYLBUTANOYL)AMINO]BENZOIC ACID
CAS Number:
915923-42-1
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD08569894
IUPAC Name:
3-(3,3-dimethylbutanoylamino)benzoic acid
InChI:
InChI=1S/C13H17NO3/c1-13(2,3)8-11(15)14-10-6-4-5-9(7-10)12(16)17/h4-7H,8H2,1-3H3,(H,14,15)(H,16,17)
InChI Key:
FLPJVCYHCRNXQX-UHFFFAOYSA-N
SMILES:
O=C(CC(C)(C)C)Nc1cccc(c1)C(=O)O
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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