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123391-65-1 | Carbamic acid, butyl-, (5-formyl-2-furanyl)methyl ester (9CI)
CAS No: 123391-65-1 Catalog No: AG000KHM MDL No:
Product Description
Catalog Number:
AG000KHM
Chemical Name:
Carbamic acid, butyl-, (5-formyl-2-furanyl)methyl ester (9CI)
CAS Number:
123391-65-1
Molecular Formula:
C11H15NO4
Molecular Weight:
225.2411
IUPAC Name:
(5-formylfuran-2-yl)methyl N-butylcarbamate
InChI:
InChI=1S/C11H15NO4/c1-2-3-6-12-11(14)15-8-10-5-4-9(7-13)16-10/h4-5,7H,2-3,6,8H2,1H3,(H,12,14)
InChI Key:
SDXQKFBFHOUBOL-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)OCc1ccc(o1)C=O
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.244g/mol
Monoisotopic Mass:
225.1g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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