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1,3-dimethyl 2-aminobenzene-1,3-dicarboxylate

1,3-dimethyl 2-aminobenzene-1,3-dicarboxylate

CAS: 57053-02-8

Formula: C10H11NO4

SMILES: COC(=O)C1=CC=CC(C(=O)OC)=C1N

IUPAC: 1,3-dimethyl 2-aminobenzene-1,3-dicarboxylate

InChI: InChI=1S/C10H11NO4/c1-14-9(12)6-4-3-5-7(8(6)11)10(13)15-2/h3-5H,11H2,1-2H3

Composition: C (57.41%), H (5.30%), N (6.70%), O (30.59%)

Molar Mass: 209.201

Atom Count: 26

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 209.068807838
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey QVBQPOJYBWWILD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.81
Topological Polar Surface Area 78.62
Polarizability 20.37
Ring Count 1
Rotatable Bond Count 4

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99.6% <7 Days 57053-02-8 $43.95-$418.88$43.95$78.54$112.20$209.44$418.88
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97% <7 Days 57053-02-8 $6.21-$571.32$6.21$14.49$57.96$102.47$165.60$323.96$571.32
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95% <6 Days 57053-02-8 $11.50-$156.40$11.50$56.35$96.60$156.40
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