200,000+ products from a single source!
sales@angenechem.com
144913-06-4 | 3-Cyclobutene-1,2-dione, 3-ethoxy-4-[(phenylmethyl)amino]-
CAS No: 144913-06-4 Catalog No: AG001KCY MDL No:MFCD00179351
Product Description
Catalog Number:
AG001KCY
Chemical Name:
3-Cyclobutene-1,2-dione, 3-ethoxy-4-[(phenylmethyl)amino]-
CAS Number:
144913-06-4
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
MDL Number:
MFCD00179351
IUPAC Name:
3-(benzylamino)-4-ethoxycyclobut-3-ene-1,2-dione
InChI:
InChI=1S/C13H13NO3/c1-2-17-13-10(11(15)12(13)16)14-8-9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3
InChI Key:
JFBJJNQPIJHMPP-UHFFFAOYSA-N
SMILES:
CCOC1=C(C(=O)C1=O)NCc1ccccc1
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.