200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 89099-03-6
89099-03-6 | Pentanoic acid, 2-isocyano-4-methyl-, phenylmethyl ester
CAS No: 89099-03-6 Catalog No: AG003ZYL MDL No:
Product Description
Catalog Number:
AG003ZYL
Chemical Name:
Pentanoic acid, 2-isocyano-4-methyl-, phenylmethyl ester
CAS Number:
89099-03-6
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
IUPAC Name:
benzyl 2-isocyano-4-methylpentanoate
InChI:
InChI=1S/C14H17NO2/c1-11(2)9-13(15-3)14(16)17-10-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-2H3
InChI Key:
DKBQPUNNMIXZBX-UHFFFAOYSA-N
SMILES:
CC(CC(C(=O)OCc1ccccc1)[N+]#[C-])C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.