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114054-75-0 | 2-Butenoic acid, 3-amino-, 2,2-bis(hydroxymethyl)butyl ester
CAS No: 114054-75-0 Catalog No: AG000AFK MDL No:
Product Description
Catalog Number:
AG000AFK
Chemical Name:
2-Butenoic acid, 3-amino-, 2,2-bis(hydroxymethyl)butyl ester
CAS Number:
114054-75-0
Molecular Formula:
C10H19NO4
Molecular Weight:
217.2622
IUPAC Name:
2,2-bis(hydroxymethyl)butyl 3-aminobut-2-enoate
InChI:
InChI=1S/C10H19NO4/c1-3-10(5-12,6-13)7-15-9(14)4-8(2)11/h4,12-13H,3,5-7,11H2,1-2H3
InChI Key:
LIRWDBAQNNHRPI-UHFFFAOYSA-N
SMILES:
CCC(COC(=O)C=C(N)C)(CO)CO
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
217.265g/mol
Monoisotopic Mass:
217.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
92.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.2
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