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139232-40-9 | 2-Benzofuranacetic acid, 2,3-dihydro-5-hydroxy-4,6,7-trimethyl-
CAS No: 139232-40-9 Catalog No: AG001AJH MDL No:
Product Description
Catalog Number:
AG001AJH
Chemical Name:
2-Benzofuranacetic acid, 2,3-dihydro-5-hydroxy-4,6,7-trimethyl-
CAS Number:
139232-40-9
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
IUPAC Name:
2-(5-hydroxy-4,6,7-trimethyl-1,3-dihydro-2-benzofuran-1-yl)acetic acid
InChI:
InChI=1S/C13H16O4/c1-6-7(2)13(16)8(3)9-5-17-10(12(6)9)4-11(14)15/h10,16H,4-5H2,1-3H3,(H,14,15)
InChI Key:
IOLCRJNKEDABGW-UHFFFAOYSA-N
SMILES:
OC(=O)CC1OCc2c1c(C)c(C)c(c2C)O
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.267g/mol
Monoisotopic Mass:
236.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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