200,000+ products from a single source!
sales@angenechem.com
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.