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methyl 2-cyano-5-methoxy-4-methylbenzoate

methyl 2-cyano-5-methoxy-4-methylbenzoate

CAS: 1138220-75-3

Formula: C11H11NO3

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

IUPAC: methyl 2-cyano-5-methoxy-4-methylbenzoate

InChI: InChI=1S/C11H11NO3/c1-7-4-8(6-12)9(11(13)15-3)5-10(7)14-2/h4-5H,1-3H3

Composition: C (64.38%), H (5.40%), N (6.83%), O (23.39%)

Molar Mass: 205.213

Atom Count: 26

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 205.073893218
Formal Charge 0
FSP3 0.27
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey RKAGQNNBFLRZRZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.31
Topological Polar Surface Area 59.32
Polarizability 20.88
Ring Count 1
Rotatable Bond Count 3

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95% <2 Days 1138220-75-3 $51.35-$674.07$51.35$63.37$86.31$143.12$225.06$674.07
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