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76387-79-6 | 2-(((Benzyloxy)carbonyl)amino)malonic acid
CAS No: 76387-79-6 Catalog No: AG005CC2 MDL No:MFCD09841917
Product Description
Catalog Number:
AG005CC2
Chemical Name:
2-(((Benzyloxy)carbonyl)amino)malonic acid
CAS Number:
76387-79-6
Molecular Formula:
C11H11NO6
Molecular Weight:
253.2081
MDL Number:
MFCD09841917
IUPAC Name:
2-(phenylmethoxycarbonylamino)propanedioic acid
InChI:
InChI=1S/C11H11NO6/c13-9(14)8(10(15)16)12-11(17)18-6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,17)(H,13,14)(H,15,16)
InChI Key:
ZWVXUZYECNAQFP-UHFFFAOYSA-N
SMILES:
O=C(NC(C(=O)O)C(=O)O)OCc1ccccc1
NSC Number:
117782
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
253.21g/mol
Monoisotopic Mass:
253.059g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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