200,000+ products from a single source!
sales@angenechem.com
827613-00-3 | 4-Pentenoic acid, 2-[[(phenylamino)carbonyl]amino]-, (2R)-
CAS No: 827613-00-3 Catalog No: AG0056Z7 MDL No:
Product Description
Catalog Number:
AG0056Z7
Chemical Name:
4-Pentenoic acid, 2-[[(phenylamino)carbonyl]amino]-, (2R)-
CAS Number:
827613-00-3
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
IUPAC Name:
(2R)-2-(phenylcarbamoylamino)pent-4-enoic acid
InChI:
InChI=1S/C12H14N2O3/c1-2-6-10(11(15)16)14-12(17)13-9-7-4-3-5-8-9/h2-5,7-8,10H,1,6H2,(H,15,16)(H2,13,14,17)/t10-/m1/s1
InChI Key:
BVZKSMGLCAVBMQ-SNVBAGLBSA-N
SMILES:
C=CC[C@H](C(=O)O)NC(=O)Nc1ccccc1
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
234.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
234.255g/mol
Monoisotopic Mass:
234.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.