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1255098-55-5 | 2H-Pyran-4-butanoic acid, α-aminotetrahydro-, methyl ester, hydrochloride (1:1)
CAS No: 1255098-55-5 Catalog No: AG000NS2 MDL No:
Product Description
Catalog Number:
AG000NS2
Chemical Name:
2H-Pyran-4-butanoic acid, α-aminotetrahydro-, methyl ester, hydrochloride (1:1)
CAS Number:
1255098-55-5
Molecular Formula:
C10H20ClNO3
Molecular Weight:
237.7237
IUPAC Name:
methyl 2-amino-4-(oxan-4-yl)butanoate;hydrochloride
InChI:
InChI=1S/C10H19NO3.ClH/c1-13-10(12)9(11)3-2-8-4-6-14-7-5-8;/h8-9H,2-7,11H2,1H3;1H
InChI Key:
WNKAMBCIEPRWFT-UHFFFAOYSA-N
SMILES:
COC(=O)C(CCC1CCOCC1)N.Cl
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.113g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.724g/mol
Monoisotopic Mass:
237.113g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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