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methyl 3-hydroxy-3-(4-iodophenyl)prop-2-enoate

methyl 3-hydroxy-3-(4-iodophenyl)prop-2-enoate

CAS: 1691841-09-4

Formula: C10H9IO3

SMILES: COC(=O)C=C(O)C1=CC=C(I)C=C1

IUPAC: methyl 3-hydroxy-3-(4-iodophenyl)prop-2-enoate

InChI: InChI=1S/C10H9IO3/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7/h2-6,12H,1H3

Composition: C (39.50%), H (2.98%), I (41.73%), O (15.78%)

Molar Mass: 304.083

Atom Count: 23

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 303.95964
Formal Charge 0
FSP3 0.1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ZQRCKZPAKXVPIR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.08
Topological Polar Surface Area 46.53
Polarizability 24.06
Ring Count 1
Rotatable Bond Count 3

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