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454-29-5 | DL-Homocysteine
CAS No: 454-29-5 Catalog No: AG0038PQ MDL No:MFCD00004898
Product Description
Catalog Number:
AG0038PQ
Chemical Name:
DL-Homocysteine
CAS Number:
454-29-5
Molecular Formula:
C4H9NO2S
Molecular Weight:
135.1848
MDL Number:
MFCD00004898
IUPAC Name:
2-amino-4-sulfanylbutanoic acid
InChI:
InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)
InChI Key:
FFFHZYDWPBMWHY-UHFFFAOYSA-N
SMILES:
NC(C(=O)O)CCS
EC Number:
207-222-9
Properties
Complexity:
86.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.035g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
135.181g/mol
Monoisotopic Mass:
135.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.4
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