200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 114744-89-7
114744-89-7 | Carbamic acid, [(1S)-2-oxo-1-(phenylmethyl)butyl]-, phenylmethyl ester (9CI)
CAS No: 114744-89-7 Catalog No: AG000F4Y MDL No:
Product Description
Catalog Number:
AG000F4Y
Chemical Name:
Carbamic acid, [(1S)-2-oxo-1-(phenylmethyl)butyl]-, phenylmethyl ester (9CI)
CAS Number:
114744-89-7
Molecular Formula:
C19H21NO3
Molecular Weight:
311.3749
IUPAC Name:
benzyl N-(3-oxo-1-phenylpentan-2-yl)carbamate
InChI:
InChI=1S/C19H21NO3/c1-2-18(21)17(13-15-9-5-3-6-10-15)20-19(22)23-14-16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3,(H,20,22)
InChI Key:
YWDDRKWUYFWHJV-UHFFFAOYSA-N
SMILES:
CCC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.152g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.381g/mol
Monoisotopic Mass:
311.152g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.