200,000+ products from a single source!
sales@angenechem.com
85655-86-3 | 1,3-Cyclopentadiene-1-carboxaldehyde, 2,4-bis(1,1-dimethylethyl)-
CAS No: 85655-86-3 Catalog No: AG0050Y6 MDL No:
Product Description
Catalog Number:
AG0050Y6
Chemical Name:
1,3-Cyclopentadiene-1-carboxaldehyde, 2,4-bis(1,1-dimethylethyl)-
CAS Number:
85655-86-3
Molecular Formula:
C14H22O
Molecular Weight:
206.3239
IUPAC Name:
2,4-ditert-butylcyclopenta-1,3-diene-1-carbaldehyde
InChI:
InChI=1S/C14H22O/c1-13(2,3)11-7-10(9-15)12(8-11)14(4,5)6/h8-9H,7H2,1-6H3
InChI Key:
NSZWEYNAXBEYHA-UHFFFAOYSA-N
SMILES:
O=CC1=C(C=C(C1)C(C)(C)C)C(C)(C)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.167g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.329g/mol
Monoisotopic Mass:
206.167g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.