200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 137380-48-4
137380-48-4 | Benzaldehyde, 3-[(acetyloxy)methyl]-2,4,6-trimethyl-
CAS No: 137380-48-4 Catalog No: AG001386 MDL No:MFCD03756654
Product Description
Catalog Number:
AG001386
Chemical Name:
Benzaldehyde, 3-[(acetyloxy)methyl]-2,4,6-trimethyl-
CAS Number:
137380-48-4
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
MDL Number:
MFCD03756654
IUPAC Name:
(3-formyl-2,4,6-trimethylphenyl)methyl acetate
InChI:
InChI=1S/C13H16O3/c1-8-5-9(2)13(7-16-11(4)15)10(3)12(8)6-14/h5-6H,7H2,1-4H3
InChI Key:
AVAXHSXXDPQPIR-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)cc(c(c1C)COC(=O)C)C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.