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2-amino-3-(2-methyl-1H-1,3-benzodiazol-5-yl)propanoic acid

2-amino-3-(2-methyl-1H-1,3-benzodiazol-5-yl)propanoic acid

CAS: 1220953-94-5

Formula: C11H13N3O2

SMILES: CC1=NC2=CC(CC(N)C(O)=O)=CC=C2N1

IUPAC: 2-amino-3-(2-methyl-1H-1,3-benzodiazol-5-yl)propanoic acid

InChI: InChI=1/C11H13N3O2/c1-6-13-9-3-2-7(5-10(9)14-6)4-8(12)11(15)16/h2-3,5,8H,4,12H2,1H3,(H,13,14)(H,15,16)

Composition: C (60.26%), H (5.98%), N (19.17%), O (14.59%)

Molar Mass: 219.244

Atom Count: 29

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 219.100776671
Formal Charge 0
FSP3 0.27
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey UQPFCVPREPFMNJ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.47
Topological Polar Surface Area 92
Polarizability 23.96
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 1220953-94-5 $646.38-$1,547.91$646.38$1,547.91
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