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115289-55-9 | 4-Pentenoic acid, 2-amino-, methyl ester, hydrochloride (1:1)
CAS No: 115289-55-9 Catalog No: AG000GKK MDL No:MFCD25955960
Product Description
Catalog Number:
AG000GKK
Chemical Name:
4-Pentenoic acid, 2-amino-, methyl ester, hydrochloride (1:1)
CAS Number:
115289-55-9
Molecular Formula:
C6H12ClNO2
Molecular Weight:
165.6180
MDL Number:
MFCD25955960
IUPAC Name:
methyl 2-aminopent-4-enoate;hydrochloride
InChI:
InChI=1S/C6H11NO2.ClH/c1-3-4-5(7)6(8)9-2;/h3,5H,1,4,7H2,2H3;1H
InChI Key:
WHHNAMFLUXPVNV-UHFFFAOYSA-N
SMILES:
COC(=O)C(CC=C)N.Cl
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.056g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.617g/mol
Monoisotopic Mass:
165.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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