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125496-24-4 | Propanoic acid, 3-(formylamino)-2-(formyloxy)-, (2S)-
CAS No: 125496-24-4 Catalog No: AG000NQ6 MDL No:
Product Description
Catalog Number:
AG000NQ6
Chemical Name:
Propanoic acid, 3-(formylamino)-2-(formyloxy)-, (2S)-
CAS Number:
125496-24-4
Molecular Formula:
C5H7NO5
Molecular Weight:
161.1128
IUPAC Name:
(2S)-3-formamido-2-formyloxypropanoic acid
InChI:
InChI=1S/C5H7NO5/c7-2-6-1-4(5(9)10)11-3-8/h2-4H,1H2,(H,6,7)(H,9,10)/t4-/m0/s1
InChI Key:
SVJSKRRBEYBJIU-BYPYZUCNSA-N
SMILES:
O=CNC[C@@H](C(=O)O)OC=O
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
161.032g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
161.113g/mol
Monoisotopic Mass:
161.032g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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