Home Carboxys 3-Pyrrolidinecarboxylic acid, 1-acetyl- (9CI)

3-Pyrrolidinecarboxylic acid, 1-acetyl- (9CI)

CAS No.:
712270-40-1
Catalog Number:
AG00FXY6
Molecular Formula:
C7H11NO3
Molecular Weight:
157.1671
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Product Description
Catalog Number:
AG00FXY6
Chemical Name:
3-Pyrrolidinecarboxylic acid, 1-acetyl- (9CI)
CAS Number:
712270-40-1
Molecular Formula:
C7H11NO3
Molecular Weight:
157.1671
MDL Number:
MFCD17272529
IUPAC Name:
1-acetylpyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C7H11NO3/c1-5(9)8-3-2-6(4-8)7(10)11/h6H,2-4H2,1H3,(H,10,11)
InChI Key:
FEQQMBBBBFVNMN-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(C1)C(=O)C
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.074g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
157.169g/mol
Monoisotopic Mass:
157.074g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties