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methyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate

methyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate

Formula: C12H17NO4

SMILES: COC(=O)CC(N)C1=CC=C(OC)C(OC)=C1

IUPAC: methyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate

InChI: InChI=1/C12H17NO4/c1-15-10-5-4-8(6-11(10)16-2)9(13)7-12(14)17-3/h4-6,9H,7,13H2,1-3H3

Composition: C (60.24%), H (7.16%), N (5.85%), O (26.75%)

Molar Mass: 239.271

Atom Count: 34

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 239.115758031
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey DPDHEFCLHFWWJB-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.68
Topological Polar Surface Area 70.78
Polarizability 25.04
Ring Count 1
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C12H17NO4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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