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ethyl 8-amino-3,4-dihydro-2H-1-benzopyran-2-carboxylate hydrochloride

ethyl 8-amino-3,4-dihydro-2H-1-benzopyran-2-carboxylate hydrochloride

CAS: 2442597-48-8

Formula: C12H16ClNO3

SMILES: Cl.CCOC(=O)C1CCC2=CC=CC(N)=C2O1

IUPAC: ethyl 8-amino-3,4-dihydro-2H-1-benzopyran-2-carboxylate hydrochloride

InChI: InChI=1/C12H15NO3.ClH/c1-2-15-12(14)10-7-6-8-4-3-5-9(13)11(8)16-10;/h3-5,10H,2,6-7,13H2,1H3;1H

Composition: C (55.93%), H (6.26%), Cl (13.76%), N (5.44%), O (18.62%)

Molar Mass: 257.71

Atom Count: 33

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 257.0818711
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey FTCKHZNJCLHFHN-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.48
Topological Polar Surface Area 61.55
Polarizability 23.24
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 2442597-48-8 $179.40-$4,590.80$179.40$243.80$373.75$631.35$1,147.70$4,590.80
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