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354158-53-5 | 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid
CAS No: 354158-53-5 Catalog No: AG00JDT1 MDL No:
Product Description
Catalog Number:
AG00JDT1
Chemical Name:
4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid
CAS Number:
354158-53-5
Molecular Formula:
C16H15NO4
Molecular Weight:
285.2946
IUPAC Name:
4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzoic acid
InChI:
InChI=1S/C16H15NO4/c18-14-12-9-1-2-10(7-9)13(12)15(19)17(14)11-5-3-8(4-6-11)16(20)21/h3-6,9-10,12-13H,1-2,7H2,(H,20,21)
InChI Key:
OYRRYCDONHLKGG-UHFFFAOYSA-N
SMILES:
O=C1N(c2ccc(cc2)C(=O)O)C(=O)C2C1C1CCC2C1
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.299g/mol
Monoisotopic Mass:
285.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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