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88631-86-1 | 1,4-Benzodioxin-6-carboxaldehyde, 2,3-dihydro-5,8-dimethyl-
CAS No: 88631-86-1 Catalog No: AG008ANN MDL No:
Product Description
Catalog Number:
AG008ANN
Chemical Name:
1,4-Benzodioxin-6-carboxaldehyde, 2,3-dihydro-5,8-dimethyl-
CAS Number:
88631-86-1
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
IUPAC Name:
5,8-dimethyl-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
InChI:
InChI=1S/C11H12O3/c1-7-5-9(6-12)8(2)11-10(7)13-3-4-14-11/h5-6H,3-4H2,1-2H3
InChI Key:
BZZDZEANTHSGAM-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)c2c(c1C)OCCO2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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