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methyl 3-(4-cyanophenyl)-3-hydroxyprop-2-enoate

methyl 3-(4-cyanophenyl)-3-hydroxyprop-2-enoate

CAS: 101341-45-1

Formula: C11H9NO3

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

IUPAC: methyl 3-(4-cyanophenyl)-3-hydroxyprop-2-enoate

InChI: InChI=1S/C11H9NO3/c1-15-11(14)6-10(13)9-4-2-8(7-12)3-5-9/h2-6,13H,1H3

Composition: C (65.02%), H (4.46%), N (6.89%), O (23.62%)

Molar Mass: 203.197

Atom Count: 24

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 203.058243154
Formal Charge 0
FSP3 0.09
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey FXRHYDYENOQSRZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.44
Topological Polar Surface Area 70.32
Polarizability 20.67
Ring Count 1
Rotatable Bond Count 3

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