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132042-66-1 | Butanoic acid, 4-(hydroxymethylamino)-4-oxo-, decyl ester
CAS No: 132042-66-1 Catalog No: AG001042 MDL No:
Product Description
Catalog Number:
AG001042
Chemical Name:
Butanoic acid, 4-(hydroxymethylamino)-4-oxo-, decyl ester
CAS Number:
132042-66-1
Molecular Formula:
C15H29NO4
Molecular Weight:
287.3951
IUPAC Name:
decyl 4-(hydroxymethylamino)-4-oxobutanoate
InChI:
InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-9-12-20-15(19)11-10-14(18)16-13-17/h17H,2-13H2,1H3,(H,16,18)
InChI Key:
JSOKFJUFGONROY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOC(=O)CCC(=O)NCO
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.21g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.4g/mol
Monoisotopic Mass:
287.21g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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