Home Other Building Blocks 3-((2S)PYRROLIDIN-2-YL)-4-METHOXYBENZOIC ACID

3-((2S)PYRROLIDIN-2-YL)-4-METHOXYBENZOIC ACID

CAS No.:
1391419-55-8
Catalog Number:
AG01DDNG
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
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Product Description
Catalog Number:
AG01DDNG
Chemical Name:
3-((2S)PYRROLIDIN-2-YL)-4-METHOXYBENZOIC ACID
CAS Number:
1391419-55-8
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD12758985
IUPAC Name:
4-methoxy-3-[(2S)-pyrrolidin-2-yl]benzoic acid;hydrochloride
InChI:
InChI=1S/C12H15NO3.ClH/c1-16-11-5-4-8(12(14)15)7-9(11)10-3-2-6-13-10;/h4-5,7,10,13H,2-3,6H2,1H3,(H,14,15);1H/t10-;/m0./s1
InChI Key:
NXZFTRFYMBKBGP-PPHPATTJSA-N
SMILES:
COc1ccc(cc1[C@@H]1CCCN1)C(=O)O
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
257.082g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
257.714g/mol
Monoisotopic Mass:
257.082g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties