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88631-89-4

88631-89-4 | 1,3-Benzodioxole-5-carboxaldehyde, 4-methyl-7-(1-methylethyl)-

CAS No: 88631-89-4 Catalog No: AG004BPV MDL No:

Product Description

Catalog Number:
AG004BPV
Chemical Name:
1,3-Benzodioxole-5-carboxaldehyde, 4-methyl-7-(1-methylethyl)-
CAS Number:
88631-89-4
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
4-methyl-7-propan-2-yl-1,3-benzodioxole-5-carbaldehyde
InChI:
InChI=1S/C12H14O3/c1-7(2)10-4-9(5-13)8(3)11-12(10)15-6-14-11/h4-5,7H,6H2,1-3H3
InChI Key:
KMIUXTHZRQIPTF-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C(C)C)c2c(c1C)OCO2

Properties

Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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