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4790-79-8 | 7-Methoxybenzofuran-2-carboxylic acid
CAS No: 4790-79-8 Catalog No: AG003NG7 MDL No:MFCD00060516
Product Description
Catalog Number:
AG003NG7
Chemical Name:
7-Methoxybenzofuran-2-carboxylic acid
CAS Number:
4790-79-8
Molecular Formula:
C10H8O4
Molecular Weight:
192.1681
MDL Number:
MFCD00060516
IUPAC Name:
7-methoxy-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C10H8O4/c1-13-7-4-2-3-6-5-8(10(11)12)14-9(6)7/h2-5H,1H3,(H,11,12)
InChI Key:
UOCNTRAAJNWDND-UHFFFAOYSA-N
SMILES:
COc1cccc2c1oc(c2)C(=O)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:
192.042g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.17g/mol
Monoisotopic Mass:
192.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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