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122030-69-7 | 2-Pyrrolidinemethanol, 1-(4-methoxybenzoyl)-, (2S)- (9CI)
CAS No: 122030-69-7 Catalog No: AG0016O3 MDL No:
Product Description
Catalog Number:
AG0016O3
Chemical Name:
2-Pyrrolidinemethanol, 1-(4-methoxybenzoyl)-, (2S)- (9CI)
CAS Number:
122030-69-7
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
IUPAC Name:
[2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
InChI:
InChI=1S/C13H17NO3/c1-17-12-6-4-10(5-7-12)13(16)14-8-2-3-11(14)9-15/h4-7,11,15H,2-3,8-9H2,1H3
InChI Key:
RMEPBMAXOLRNGI-UHFFFAOYSA-N
SMILES:
OC[C@@H]1CCCN1C(=O)c1ccc(cc1)OC
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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