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3-{[(benzyloxy)carbonyl]amino}-2-hydroxypropanoic acid

3-{[(benzyloxy)carbonyl]amino}-2-hydroxypropanoic acid

CAS: 54515-39-8

Formula: C11H13NO5

SMILES: OC(CNC(=O)OCC1=CC=CC=C1)C(O)=O

IUPAC: 3-{[(benzyloxy)carbonyl]amino}-2-hydroxypropanoic acid

InChI: InChI=1/C11H13NO5/c13-9(10(14)15)6-12-11(16)17-7-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,12,16)(H,14,15)

Composition: C (55.23%), H (5.48%), N (5.86%), O (33.44%)

Molar Mass: 239.227

Atom Count: 30

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 239.079372523
Formal Charge 0
FSP3 0.27
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey GMWQKAHYINBSDJ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.72
Topological Polar Surface Area 95.86
Polarizability 22.68
Ring Count 1
Rotatable Bond Count 6

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Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 54515-39-8 $103.68-$465.60$103.68$155.52$465.60
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