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915923-72-7

915923-72-7 | 3-[(2,2-DIMETHYLPROPANOYL)AMINO]-4-METHYLBENZOIC ACID

CAS No: 915923-72-7 Catalog No: AG006GIX MDL No:MFCD08692001

Product Description

Catalog Number:
AG006GIX
Chemical Name:
3-[(2,2-DIMETHYLPROPANOYL)AMINO]-4-METHYLBENZOIC ACID
CAS Number:
915923-72-7
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD08692001
IUPAC Name:
3-(2,2-dimethylpropanoylamino)-4-methylbenzoic acid
InChI:
InChI=1S/C13H17NO3/c1-8-5-6-9(11(15)16)7-10(8)14-12(17)13(2,3)4/h5-7H,1-4H3,(H,14,17)(H,15,16)
InChI Key:
XTJFPDDBFZQSKY-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)Nc1cc(ccc1C)C(=O)O

Properties

Complexity:
306  
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:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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