200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 137840-43-8
137840-43-8 | 2-Heptenal, 5-methyl-7-oxo-7-phenyl-, (E)- (9CI)
CAS No: 137840-43-8 Catalog No: AG0013XM MDL No:
Product Description
Catalog Number:
AG0013XM
Chemical Name:
2-Heptenal, 5-methyl-7-oxo-7-phenyl-, (E)- (9CI)
CAS Number:
137840-43-8
Molecular Formula:
C14H16O2
Molecular Weight:
216.2756
IUPAC Name:
5-methyl-7-oxo-7-phenylhept-2-enal
InChI:
InChI=1S/C14H16O2/c1-12(7-5-6-10-15)11-14(16)13-8-3-2-4-9-13/h2-6,8-10,12H,7,11H2,1H3
InChI Key:
BVRNOQNLRQRPCH-UHFFFAOYSA-N
SMILES:
O=C/C=C/CC(CC(=O)c1ccccc1)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.28g/mol
Monoisotopic Mass:
216.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.