200,000+ products from a single source!
sales@angenechem.com
114419-45-3 | 1H-1,2,4-Triazole-1-propanoic acid, α-amino-
CAS No: 114419-45-3 Catalog No: AG000BBI MDL No:MFCD00077168
Product Description
Catalog Number:
AG000BBI
Chemical Name:
1H-1,2,4-Triazole-1-propanoic acid, α-amino-
CAS Number:
114419-45-3
Molecular Formula:
C5H8N4O2
Molecular Weight:
156.1426
MDL Number:
MFCD00077168
IUPAC Name:
2-amino-3-(1,2,4-triazol-1-yl)propanoic acid
InChI:
InChI=1S/C5H8N4O2/c6-4(5(10)11)1-9-3-7-2-8-9/h2-4H,1,6H2,(H,10,11)
InChI Key:
XVWFTOJHOHJIMQ-UHFFFAOYSA-N
SMILES:
NC(C(=O)O)Cn1cncn1
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.065g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
156.145g/mol
Monoisotopic Mass:
156.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.