200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 131962-59-9
131962-59-9 | Benzenemethanol, α-[(2-morpholinylmethoxy)methyl]-, (2E)-2-butenedioate (2:1) (salt) (9CI)
CAS No: 131962-59-9 Catalog No: AG000ZZN MDL No:
Product Description
Catalog Number:
AG000ZZN
Chemical Name:
Benzenemethanol, α-[(2-morpholinylmethoxy)methyl]-, (2E)-2-butenedioate (2:1) (salt) (9CI)
CAS Number:
131962-59-9
Molecular Formula:
C17H23NO7
Molecular Weight:
353.3670
IUPAC Name:
but-2-enedioic acid;2-(phenylmethoxymethoxymethyl)morpholine
InChI:
InChI=1S/C13H19NO3.C4H4O4/c1-2-4-12(5-3-1)9-15-11-16-10-13-8-14-6-7-17-13;5-3(6)1-2-4(7)8/h1-5,13-14H,6-11H2;1-2H,(H,5,6)(H,7,8)
InChI Key:
VRGWNAHUEUUNGU-UHFFFAOYSA-N
SMILES:
C1NCC(OC1)COCOCc1ccccc1.OC(=O)C=CC(=O)O
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.147g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
353.371g/mol
Monoisotopic Mass:
353.147g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.