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84337-81-5 | Propanedioic acid, (benzoylamino)-, monoethyl ester
CAS No: 84337-81-5 Catalog No: AG004XQP MDL No:
Product Description
Catalog Number:
AG004XQP
Chemical Name:
Propanedioic acid, (benzoylamino)-, monoethyl ester
CAS Number:
84337-81-5
Molecular Formula:
C12H12NO5-
Molecular Weight:
250.2274
IUPAC Name:
2-benzamido-3-ethoxy-3-oxopropanoate
InChI:
InChI=1S/C12H13NO5/c1-2-18-12(17)9(11(15)16)13-10(14)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,13,14)(H,15,16)/p-1
InChI Key:
PIRSDWVOFHNDGT-UHFFFAOYSA-M
SMILES:
CCOC(=O)C(C(=O)[O-])NC(=O)c1ccccc1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.072g/mol
Formal Charge:
-1
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.23g/mol
Monoisotopic Mass:
250.072g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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