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2-(2-aminopropanamido)-3-(4-hydroxyphenyl)propanoic acid

2-(2-aminopropanamido)-3-(4-hydroxyphenyl)propanoic acid

CAS: 3061-88-9

Formula: C12H16N2O4

SMILES: CC(N)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O

IUPAC: 2-(2-aminopropanamido)-3-(4-hydroxyphenyl)propanoic acid

InChI: InChI=1/C12H16N2O4/c1-7(13)11(16)14-10(12(17)18)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18)

Composition: C (57.13%), H (6.39%), N (11.10%), O (25.37%)

Molar Mass: 252.27

Atom Count: 34

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 252.111007003
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 4
InChIKey ALZVPLKYDKJKQU-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.39
Topological Polar Surface Area 112.65
Polarizability 25.28
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS UnitPrice
98% <14 Days 3061-88-9 Quote Only
Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
98% <2 Days 3061-88-9 $51.35-$1,398.40$51.35$63.37$86.31$260.02$809.54$1,398.40
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