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207850-91-7 | Benzoic acid, 2-hydroxy-4-(1-pyrrolidinyl)-, methyl ester
CAS No: 207850-91-7 Catalog No: AG002JC4 MDL No:
Product Description
Catalog Number:
AG002JC4
Chemical Name:
Benzoic acid, 2-hydroxy-4-(1-pyrrolidinyl)-, methyl ester
CAS Number:
207850-91-7
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
IUPAC Name:
methyl 2-hydroxy-4-pyrrolidin-1-ylbenzoate
InChI:
InChI=1S/C12H15NO3/c1-16-12(15)10-5-4-9(8-11(10)14)13-6-2-3-7-13/h4-5,8,14H,2-3,6-7H2,1H3
InChI Key:
UHEVJHHSZMFPDS-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1O)N1CCCC1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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