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1163729-43-8 | 2-Benzofurancarboxylic acid, 2,3-dihydro-5-hydroxy-
CAS No: 1163729-43-8 Catalog No: AG000CBC MDL No:MFCD13659362
Product Description
Catalog Number:
AG000CBC
Chemical Name:
2-Benzofurancarboxylic acid, 2,3-dihydro-5-hydroxy-
CAS Number:
1163729-43-8
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
MDL Number:
MFCD13659362
IUPAC Name:
5-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C9H8O4/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-3,8,10H,4H2,(H,11,12)
InChI Key:
UELXHTVYZOVMKN-UHFFFAOYSA-N
SMILES:
OC(=O)C1Cc2c(O1)ccc(c2)O
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.042g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.159g/mol
Monoisotopic Mass:
180.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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