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88631-85-0 | 1,3-Benzodioxole-5-carboxaldehyde, 4,7-dimethyl-
CAS No: 88631-85-0 Catalog No: AG004BPW MDL No:MFCD24681764
Product Description
Catalog Number:
AG004BPW
Chemical Name:
1,3-Benzodioxole-5-carboxaldehyde, 4,7-dimethyl-
CAS Number:
88631-85-0
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
MDL Number:
MFCD24681764
IUPAC Name:
4,7-dimethyl-1,3-benzodioxole-5-carbaldehyde
InChI:
InChI=1S/C10H10O3/c1-6-3-8(4-11)7(2)10-9(6)12-5-13-10/h3-4H,5H2,1-2H3
InChI Key:
JQOAITQDQLHPFM-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)c2c(c1C)OCO2
Properties
Complexity:
204
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:
0
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/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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