methyl 2-[(3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]acetate

methyl 2-[(3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]acetate

CAS: 1000414-38-9

Formula: C11H12O4

SMILES: COC(=O)C[C@@H]1COC2=C1C=CC(O)=C2

IUPAC: methyl 2-[(3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]acetate

InChI: InChI=1S/C11H12O4/c1-14-11(13)4-7-6-15-10-5-8(12)2-3-9(7)10/h2-3,5,7,12H,4,6H2,1H3/t7-/m1/s1

Composition: C (63.45%), H (5.81%), O (30.74%)

Molar Mass: 208.213

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	208.073558866
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	RHMDISFJOKCCAQ-SSDOTTSWSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.32
Topological Polar Surface Area	55.76
Polarizability	20.89
Ring Count	2
Rotatable Bond Count	3

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