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14205-40-4 | 2-Butenoic acid, 3-amino-, 1,2-ethanediyl ester (9CI)
CAS No: 14205-40-4 Catalog No: AG001HNK MDL No:
Product Description
Catalog Number:
AG001HNK
Chemical Name:
2-Butenoic acid, 3-amino-, 1,2-ethanediyl ester (9CI)
CAS Number:
14205-40-4
Molecular Formula:
C10H16N2O4
Molecular Weight:
228.2450
IUPAC Name:
2-(3-aminobut-2-enoyloxy)ethyl 3-aminobut-2-enoate
InChI:
InChI=1S/C10H16N2O4/c1-7(11)5-9(13)15-3-4-16-10(14)6-8(2)12/h5-6H,3-4,11-12H2,1-2H3
InChI Key:
XKZRFLCEABGXJI-UHFFFAOYSA-N
SMILES:
O=C(C=C(N)C)OCCOC(=O)C=C(N)C
EC Number:
238-057-0
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.248g/mol
Monoisotopic Mass:
228.111g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1
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