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87273-77-6 | Acetic acid, (1-acetyl-2-pyrrolidinylidene)-, ethyl ester, (2E)-
CAS No: 87273-77-6 Catalog No: AG004LT2 MDL No:
Product Description
Catalog Number:
AG004LT2
Chemical Name:
Acetic acid, (1-acetyl-2-pyrrolidinylidene)-, ethyl ester, (2E)-
CAS Number:
87273-77-6
Molecular Formula:
C10H15NO3
Molecular Weight:
197.2310
IUPAC Name:
ethyl 2-(1-acetylpyrrolidin-2-ylidene)acetate
InChI:
InChI=1S/C10H15NO3/c1-3-14-10(13)7-9-5-4-6-11(9)8(2)12/h7H,3-6H2,1-2H3
InChI Key:
BEGCWIWZGWIPKC-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C/1\CCCN1C(=O)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.234g/mol
Monoisotopic Mass:
197.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.5
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