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126407-70-3 | 1-Pyrrolidinecarboxylic acid, 2-formyl-, 2-propenyl ester, (S)- (9CI)
CAS No: 126407-70-3 Catalog No: AG000SR8 MDL No:
Product Description
Catalog Number:
AG000SR8
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-formyl-, 2-propenyl ester, (S)- (9CI)
CAS Number:
126407-70-3
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
IUPAC Name:
prop-2-enyl 2-formylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C9H13NO3/c1-2-6-13-9(12)10-5-3-4-8(10)7-11/h2,7-8H,1,3-6H2
InChI Key:
JIYSMPGQEBPPAC-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)N1CCC[C@H]1C=O
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.207g/mol
Monoisotopic Mass:
183.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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