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150986-77-9 | 1(3H)-Isobenzofuranone, 6-methoxy-3-methylene-
CAS No: 150986-77-9 Catalog No: AG001MZ3 MDL No:
Product Description
Catalog Number:
AG001MZ3
Chemical Name:
1(3H)-Isobenzofuranone, 6-methoxy-3-methylene-
CAS Number:
150986-77-9
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
IUPAC Name:
6-methoxy-3-methylidene-2-benzofuran-1-one
InChI:
InChI=1S/C10H8O3/c1-6-8-4-3-7(12-2)5-9(8)10(11)13-6/h3-5H,1H2,2H3
InChI Key:
YZKRPDNBXWLKHF-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(=O)OC2=C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.171g/mol
Monoisotopic Mass:
176.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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