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89216-07-9 | Propanedioic acid, (1-formyl-2-pyrrolidinyl)phenyl-, diethyl ester
CAS No: 89216-07-9 Catalog No: AG00460Q MDL No:
Product Description
Catalog Number:
AG00460Q
Chemical Name:
Propanedioic acid, (1-formyl-2-pyrrolidinyl)phenyl-, diethyl ester
CAS Number:
89216-07-9
Molecular Formula:
C18H23NO5
Molecular Weight:
333.3789
IUPAC Name:
diethyl 2-(1-formylpyrrolidin-2-yl)-2-phenylpropanedioate
InChI:
InChI=1S/C18H23NO5/c1-3-23-16(21)18(17(22)24-4-2,14-9-6-5-7-10-14)15-11-8-12-19(15)13-20/h5-7,9-10,13,15H,3-4,8,11-12H2,1-2H3
InChI Key:
FQTJUICNUSAMIR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C1CCCN1C=O)(c1ccccc1)C(=O)OCC
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.158g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.384g/mol
Monoisotopic Mass:
333.158g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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