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17994-94-4 | Heptanoic acid, 7-amino-, methyl ester, hydrochloride (1:1)
CAS No: 17994-94-4 Catalog No: AG0021GZ MDL No:MFCD09029389
Product Description
Catalog Number:
AG0021GZ
Chemical Name:
Heptanoic acid, 7-amino-, methyl ester, hydrochloride (1:1)
CAS Number:
17994-94-4
Molecular Formula:
C8H18ClNO2
Molecular Weight:
195.6870
MDL Number:
MFCD09029389
IUPAC Name:
methyl 7-aminoheptanoate;hydrochloride
InChI:
InChI=1S/C8H17NO2.ClH/c1-11-8(10)6-4-2-3-5-7-9;/h2-7,9H2,1H3;1H
InChI Key:
CHMAEAFFKRYPQT-UHFFFAOYSA-N
SMILES:
NCCCCCCC(=O)OC.Cl
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.103g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.687g/mol
Monoisotopic Mass:
195.103g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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