200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 141891-13-6
141891-13-6 | 1,3-Cyclohexadiene-1-carboxaldehyde, 2,6,6-trimethyl-5-oxo-
CAS No: 141891-13-6 Catalog No: AG001HB8 MDL No:MFCD24681362
Product Description
Catalog Number:
AG001HB8
Chemical Name:
1,3-Cyclohexadiene-1-carboxaldehyde, 2,6,6-trimethyl-5-oxo-
CAS Number:
141891-13-6
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD24681362
IUPAC Name:
2,6,6-trimethyl-5-oxocyclohexa-1,3-diene-1-carbaldehyde
InChI:
InChI=1S/C10H12O2/c1-7-4-5-9(12)10(2,3)8(7)6-11/h4-6H,1-3H3
InChI Key:
IRKKMMCRSGGEBE-UHFFFAOYSA-N
SMILES:
O=CC1=C(C)C=CC(=O)C1(C)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.