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10088-77-4 | 1(3H)-Isobenzofuranone, 7-hydroxy-4,6-dimethyl-
CAS No: 10088-77-4 Catalog No: AG00033M MDL No:MFCD24714770
Product Description
Catalog Number:
AG00033M
Chemical Name:
1(3H)-Isobenzofuranone, 7-hydroxy-4,6-dimethyl-
CAS Number:
10088-77-4
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
MDL Number:
MFCD24714770
IUPAC Name:
7-hydroxy-4,6-dimethyl-3H-2-benzofuran-1-one
InChI:
InChI=1S/C10H10O3/c1-5-3-6(2)9(11)8-7(5)4-13-10(8)12/h3,11H,4H2,1-2H3
InChI Key:
FCSPXCQJNMMNMO-UHFFFAOYSA-N
SMILES:
O=C1OCc2c1c(O)c(C)cc2C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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