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915921-64-1

915921-64-1 | 3-[(3,3-DIMETHYLBUTANOYL)AMINO]-4-METHYLBENZOIC ACID

CAS No: 915921-64-1 Catalog No: AG006GKX MDL No:MFCD08569895

Product Description

Catalog Number:
AG006GKX
Chemical Name:
3-[(3,3-DIMETHYLBUTANOYL)AMINO]-4-METHYLBENZOIC ACID
CAS Number:
915921-64-1
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
MDL Number:
MFCD08569895
IUPAC Name:
3-(3,3-dimethylbutanoylamino)-4-methylbenzoic acid
InChI:
InChI=1S/C14H19NO3/c1-9-5-6-10(13(17)18)7-11(9)15-12(16)8-14(2,3)4/h5-7H,8H2,1-4H3,(H,15,16)(H,17,18)
InChI Key:
IQZBVCIRKSIHQY-UHFFFAOYSA-N
SMILES:
O=C(Nc1cc(ccc1C)C(=O)O)CC(C)(C)C

Properties

Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.136g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
249.31g/mol
Monoisotopic Mass:
249.136g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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