200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 129866-61-1
129866-61-1 | Benzenehexanal, α-oxo-, one
CAS No: 129866-61-1 Catalog No: AG000TR7 MDL No:
Product Description
Catalog Number:
AG000TR7
Chemical Name:
Benzenehexanal, α-oxo-, one
CAS Number:
129866-61-1
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
IUPAC Name:
1-diazo-6-phenylhexan-2-one
InChI:
InChI=1S/C12H14N2O/c13-14-10-12(15)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2
InChI Key:
RQNMAKQZAZGAAP-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=CC(=O)CCCCc1ccccc1
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
19.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.