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Home Other Building Blocks Butanedioic acid, bis(phenylmethyl) ester

Butanedioic acid, bis(phenylmethyl) ester

CAS No.:
103-43-5
Catalog Number:
AG00H9WN
Molecular Formula:
C18H18O4
Molecular Weight:
298.3331
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Product Description
Catalog Number:
AG00H9WN
Chemical Name:
Butanedioic acid, bis(phenylmethyl) ester
CAS Number:
103-43-5
Molecular Formula:
C18H18O4
Molecular Weight:
298.3331
MDL Number:
MFCD00022034
IUPAC Name:
dibenzyl butanedioate
InChI:
InChI=1S/C18H18O4/c19-17(21-13-15-7-3-1-4-8-15)11-12-18(20)22-14-16-9-5-2-6-10-16/h1-10H,11-14H2
InChI Key:
ODBOBZHTGBGYCK-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccccc1)CCC(=O)OCc1ccccc1
EC Number:
203-110-9
UNII:
CK14UG55AV
NSC Number:
4047
Properties
Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.121g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.338g/mol
Monoisotopic Mass:
298.121g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Uptake and metabolism of the novel peptide angiotensin-(1-12) by neonatal cardiac myocytes. PloS one 20110101
Chymase-dependent generation of angiotensin II from angiotensin-(1-12) in human atrial tissue. PloS one 20110101
Binding of flexible and constrained ligands to the Grb2 SH2 domain: structural effects of ligand preorganization. Acta crystallographica. Section D, Biological crystallography 20101001
Properties