Home Carboxys 2-(3-methylbutyl)-1,3-dioxoisoindoline-5-carboxylic acid

2-(3-methylbutyl)-1,3-dioxoisoindoline-5-carboxylic acid

CAS No.:
496913-99-6
Catalog Number:
AG00I8VI
Molecular Formula:
C14H15NO4
Molecular Weight:
261.2732
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Product Description
Catalog Number:
AG00I8VI
Chemical Name:
2-(3-methylbutyl)-1,3-dioxoisoindoline-5-carboxylic acid
CAS Number:
496913-99-6
Molecular Formula:
C14H15NO4
Molecular Weight:
261.2732
MDL Number:
MFCD03082031
IUPAC Name:
2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxylic acid
InChI:
InChI=1S/C14H15NO4/c1-8(2)5-6-15-12(16)10-4-3-9(14(18)19)7-11(10)13(15)17/h3-4,7-8H,5-6H2,1-2H3,(H,18,19)
InChI Key:
AKPWVBSRTUIHPT-UHFFFAOYSA-N
SMILES:
CC(CCN1C(=O)c2c(C1=O)ccc(c2)C(=O)O)C
Properties
Complexity:
404  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.1g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
261.277g/mol
Monoisotopic Mass:
261.1g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties