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21149-17-7 | Methyl 2-(((benzyloxy)carbonyl)amino)acrylate
CAS No: 21149-17-7 Catalog No: AG003VDH MDL No:MFCD00056245
Product Description
Catalog Number:
AG003VDH
Chemical Name:
Methyl 2-(((benzyloxy)carbonyl)amino)acrylate
CAS Number:
21149-17-7
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
MDL Number:
MFCD00056245
IUPAC Name:
methyl 2-(phenylmethoxycarbonylamino)prop-2-enoate
InChI:
InChI=1S/C12H13NO4/c1-9(11(14)16-2)13-12(15)17-8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3,(H,13,15)
InChI Key:
STFUIEDYPRMRNN-UHFFFAOYSA-N
SMILES:
COC(=O)C(=C)NC(=O)OCc1ccccc1
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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