200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 125701-98-6
125701-98-6 | Butanedioic acid, [(4-methoxyphenyl)methylene]-, diethyl ester, (E)- (9CI)
CAS No: 125701-98-6 Catalog No: AG000OHU MDL No:
Product Description
Catalog Number:
AG000OHU
Chemical Name:
Butanedioic acid, [(4-methoxyphenyl)methylene]-, diethyl ester, (E)- (9CI)
CAS Number:
125701-98-6
Molecular Formula:
C16H20O5
Molecular Weight:
292.3270
IUPAC Name:
diethyl 2-[(4-methoxyphenyl)methylidene]butanedioate
InChI:
InChI=1S/C16H20O5/c1-4-20-15(17)11-13(16(18)21-5-2)10-12-6-8-14(19-3)9-7-12/h6-10H,4-5,11H2,1-3H3
InChI Key:
SXPGQXAJDOJDEF-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C/c1ccc(cc1)OC)/CC(=O)OCC
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.131g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.331g/mol
Monoisotopic Mass:
292.131g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.