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830341-07-6 | 2-Pyrrolidinemethanol, 1-(2-azido-5-methoxybenzoyl)-, (2S)-
CAS No: 830341-07-6 Catalog No: AG005CPH MDL No:
Product Description
Catalog Number:
AG005CPH
Chemical Name:
2-Pyrrolidinemethanol, 1-(2-azido-5-methoxybenzoyl)-, (2S)-
CAS Number:
830341-07-6
Molecular Formula:
C13H16N4O3
Molecular Weight:
276.2911
IUPAC Name:
(2-azido-5-methoxyphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
InChI:
InChI=1S/C13H16N4O3/c1-20-10-4-5-12(15-16-14)11(7-10)13(19)17-6-2-3-9(17)8-18/h4-5,7,9,18H,2-3,6,8H2,1H3/t9-/m0/s1
InChI Key:
RRIVTJOMPWYCHQ-VIFPVBQESA-N
SMILES:
OC[C@@H]1CCCN1C(=O)c1cc(OC)ccc1N=[N+]=[N-]
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
276.122g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.296g/mol
Monoisotopic Mass:
276.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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