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1000414-38-9 | 3-Benzofuranacetic acid, 2,3-dihydro-6-hydroxy-, methyl ester, (3S)-
CAS No: 1000414-38-9 Catalog No: AG0000NB MDL No:MFCD20488619
Product Description
Catalog Number:
AG0000NB
Chemical Name:
3-Benzofuranacetic acid, 2,3-dihydro-6-hydroxy-, methyl ester, (3S)-
CAS Number:
1000414-38-9
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
MDL Number:
MFCD20488619
IUPAC Name:
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
InChI Key:
RHMDISFJOKCCAQ-SSDOTTSWSA-N
SMILES:
COC(=O)C[C@@H]1COc2c1ccc(c2)O
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
208.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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