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30984-25-9 | 1,3-Benzodioxol-2-one, 4-methyl-
CAS No: 30984-25-9 Catalog No: AG0031U1 MDL No:
Product Description
Catalog Number:
AG0031U1
Chemical Name:
1,3-Benzodioxol-2-one, 4-methyl-
CAS Number:
30984-25-9
Molecular Formula:
C8H6O3
Molecular Weight:
150.1314
IUPAC Name:
4-methyl-1,3-benzodioxol-2-one
InChI:
InChI=1S/C8H6O3/c1-5-3-2-4-6-7(5)11-8(9)10-6/h2-4H,1H3
InChI Key:
SIMJDSYMDNYTNC-UHFFFAOYSA-N
SMILES:
O=c1oc2c(o1)cccc2C
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.032g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.133g/mol
Monoisotopic Mass:
150.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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