AG0000NB

1000414-38-9 | 3-Benzofuranacetic acid, 2,3-dihydro-6-hydroxy-, methyl ester, (3S)-

AG0000NB

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CAS Number	1000414-38-9
Catalog Number	AG0000NB(AGN-PC-0WAH3S)
Chemical Name	3-Benzofuranacetic acid, 2,3-dihydro-6-hydroxy-, methyl ester, (3S)-
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
MDL Number	MFCD20488619
Molecular Formula	C11H12O4
Molecular Weight	208.2106
SMILES	O=C(OC)C[C@@H]1COC2=CC(O)=CC=C12
Synonyms	1000414-38-9, (S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate, methyl 2-[(3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]acetate, SR03298A, methyl [(3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]acetate, (S)-(6-Hydroxy-2,3-dihydrobenzofuran-3-yl)acetic Acid Methyl Ester, methyl((3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate, methyl[(3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]acetate, RHMDISFJOKCCAQ-SSDOTTSWSA-N, 3-Benzofuranaceticacid,2,3-dihydro-6-hydroxy-,Methylester, SCHEMBL9275740, DTXSID00693855, BCP12334, CS-M1217, 0056AA, ABP000978, MFCD20488619, ZINC72482121, AKOS015904374, SB17663, AK120406, AS-39248, BC267207, SC-66186, AJ-121188, AX8245822, ST24036311, KS-00000660, (S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl, I14-16749, methyl (S)-2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate, methyl (S)-2-(6-hydroxyl-2,3-dihydrobenzofuran-3-yl)acetate, Methyl 2-[(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]acetate, methyl(3S)-(2,3-dihydro-6-hydroxy-1-benzofuran-3-yl)acetate, (S)-2,3-Dihydro-6-hydroxybenzofuran-3-acetic acid methyl ester, (S)-(6-hydroxy-2,3-dihydro-benzofuran-3-yl)-acetic acid methyl ester, 3-Benzofuranacetic acid, 2,3-dihydro-6-hydroxy-, methyl ester, (3S)-, C11H12O4, 805250-17-3, ((S)-6-hydroxy-2,3-dihydro-benzofuran-3-yl)-acetic acid methyl ester, [(S)-6-hydroxy-2,3-dihydro-benzofuran-3-yl]-acetic acid methyl ester,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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