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147780-39-0 | Hexanedioic acid, 2-amino-, 6-methyl ester, hydrochloride, (S)- (9CI)
CAS No: 147780-39-0 Catalog No: AG001F7B MDL No:MFCD01632070
Product Description
Catalog Number:
AG001F7B
Chemical Name:
Hexanedioic acid, 2-amino-, 6-methyl ester, hydrochloride, (S)- (9CI)
CAS Number:
147780-39-0
Molecular Formula:
C7H14ClNO4
Molecular Weight:
211.6434
MDL Number:
MFCD01632070
IUPAC Name:
(2S)-2-amino-6-methoxy-6-oxohexanoic acid;hydrochloride
InChI:
InChI=1S/C7H13NO4.ClH/c1-12-6(9)4-2-3-5(8)7(10)11;/h5H,2-4,8H2,1H3,(H,10,11);1H/t5-;/m0./s1
InChI Key:
IOPRBBKYRZVRBV-JEDNCBNOSA-N
SMILES:
COC(=O)CCC[C@@H](C(=O)O)N.Cl
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
211.061g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
211.642g/mol
Monoisotopic Mass:
211.061g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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