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139262-66-1 | Benzeneacetic acid, α-[[(aminocarbonyl)oxy]methyl]-
CAS No: 139262-66-1 Catalog No: AG001ALF MDL No:
Product Description
Catalog Number:
AG001ALF
Chemical Name:
Benzeneacetic acid, α-[[(aminocarbonyl)oxy]methyl]-
CAS Number:
139262-66-1
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
IUPAC Name:
3-carbamoyloxy-2-phenylpropanoic acid
InChI:
InChI=1S/C10H11NO4/c11-10(14)15-6-8(9(12)13)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,14)(H,12,13)
InChI Key:
AYRIVCKWIAUVOO-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccccc1)COC(=O)N
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.201g/mol
Monoisotopic Mass:
209.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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