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methyl 3-(3-hydroxyprop-1-yn-1-yl)benzoate

methyl 3-(3-hydroxyprop-1-yn-1-yl)benzoate

Formula: C11H10O3

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

IUPAC: methyl 3-(3-hydroxyprop-1-yn-1-yl)benzoate

InChI: InChI=1S/C11H10O3/c1-14-11(13)10-6-2-4-9(8-10)5-3-7-12/h2,4,6,8,12H,7H2,1H3

Composition: C (69.46%), H (5.30%), O (25.24%)

Molar Mass: 190.198

Atom Count: 24

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 190.062994182
Formal Charge 0
FSP3 0.18
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey NZCZFVYRCHQNLP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.53
Topological Polar Surface Area 46.53
Polarizability 19.79
Ring Count 1
Rotatable Bond Count 4

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Purity (%)
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Purity LeadTime Formula UnitPrice
98% <10 Days C11H10O3 Quote Only