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163750-76-3 | D-Histidine, 3-methyl-
CAS No: 163750-76-3 Catalog No: AG001UD8 MDL No:MFCD00067633
Product Description
Catalog Number:
AG001UD8
Chemical Name:
D-Histidine, 3-methyl-
CAS Number:
163750-76-3
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
MDL Number:
MFCD00067633
IUPAC Name:
(2R)-2-amino-3-(3-methylimidazol-4-yl)propanoic acid
InChI:
InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m1/s1
InChI Key:
JDHILDINMRGULE-ZCFIWIBFSA-N
SMILES:
Cn1cncc1C[C@H](C(=O)O)N
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
169.085g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
169.184g/mol
Monoisotopic Mass:
169.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.3
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