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151144-96-6 | 4-Pentenoic acid, 2-amino-4-bromo-, (S)- (9CI)
CAS No: 151144-96-6 Catalog No: AG001N4D MDL No:MFCD06659115
Product Description
Catalog Number:
AG001N4D
Chemical Name:
4-Pentenoic acid, 2-amino-4-bromo-, (S)- (9CI)
CAS Number:
151144-96-6
Molecular Formula:
C5H8BrNO2
Molecular Weight:
194.0265
MDL Number:
MFCD06659115
IUPAC Name:
(2S)-2-amino-4-bromopent-4-enoic acid
InChI:
InChI=1S/C5H8BrNO2/c1-3(6)2-4(7)5(8)9/h4H,1-2,7H2,(H,8,9)/t4-/m0/s1
InChI Key:
YTCSGBSYHNQHFD-BYPYZUCNSA-N
SMILES:
BrC(=C)C[C@@H](C(=O)O)N
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
192.974g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.028g/mol
Monoisotopic Mass:
192.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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