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88599-44-4 | Benzoic acid, 2-[(aminocarbonyl)oxy]-, 2-methylpropyl ester
CAS No: 88599-44-4 Catalog No: AG004AZ7 MDL No:
Product Description
Catalog Number:
AG004AZ7
Chemical Name:
Benzoic acid, 2-[(aminocarbonyl)oxy]-, 2-methylpropyl ester
CAS Number:
88599-44-4
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
IUPAC Name:
2-methylpropyl 2-carbamoyloxybenzoate
InChI:
InChI=1S/C12H15NO4/c1-8(2)7-16-11(14)9-5-3-4-6-10(9)17-12(13)15/h3-6,8H,7H2,1-2H3,(H2,13,15)
InChI Key:
KYSPHRKBLFTHAV-UHFFFAOYSA-N
SMILES:
CC(COC(=O)c1ccccc1OC(=O)N)C
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.255g/mol
Monoisotopic Mass:
237.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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