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63024-18-0 | 2-ACETYL-3-(1H-PYRROLO[2,3-B]PYRIDIN-3-YL)-DL-ALANINE
CAS No: 63024-18-0 Catalog No: AG00EM15 MDL No:MFCD11501102
Product Description
Catalog Number:
AG00EM15
Chemical Name:
2-ACETYL-3-(1H-PYRROLO[2,3-B]PYRIDIN-3-YL)-DL-ALANINE
CAS Number:
63024-18-0
Molecular Formula:
C12H13N3O3
Molecular Weight:
247.2499
MDL Number:
MFCD11501102
IUPAC Name:
2-acetamido-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid
InChI:
InChI=1S/C12H13N3O3/c1-7(16)15-10(12(17)18)5-8-6-14-11-9(8)3-2-4-13-11/h2-4,6,10H,5H2,1H3,(H,13,14)(H,15,16)(H,17,18)
InChI Key:
VUFBELWPQXOLKI-UHFFFAOYSA-N
SMILES:
CC(=O)NC(C(=O)O)Cc1c[nH]c2c1cccn2
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.096g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
247.254g/mol
Monoisotopic Mass:
247.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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