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1000414-37-8 | 3-Benzofuranacetic acid, 2,3-dihydro-6-hydroxy-
CAS No: 1000414-37-8 Catalog No: AG0000NC MDL No:MFCD13184245
Product Description
Catalog Number:
AG0000NC
Chemical Name:
3-Benzofuranacetic acid, 2,3-dihydro-6-hydroxy-
CAS Number:
1000414-37-8
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD13184245
IUPAC Name:
2-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetic acid
InChI:
InChI=1S/C10H10O4/c11-7-1-2-8-6(3-10(12)13)5-14-9(8)4-7/h1-2,4,6,11H,3,5H2,(H,12,13)
InChI Key:
XGXRWHAYNFAHBM-UHFFFAOYSA-N
SMILES:
OC(=O)CC1Cc2c(O1)cc(cc2)O
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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