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113801-11-9 | Benzoic acid, 4-octyl-,2,3-dihydro-1-methyl-2-octyl-3-oxo-1H-isoindol-5-yl ester, (S)-
CAS No: 113801-11-9 Catalog No: AG00HCQW MDL No:
Product Description
Catalog Number:
AG00HCQW
Chemical Name:
Benzoic acid, 4-octyl-,2,3-dihydro-1-methyl-2-octyl-3-oxo-1H-isoindol-5-yl ester, (S)-
CAS Number:
113801-11-9
IUPAC Name:
pyrimidin-4-ylmethanamine;hydrochloride
InChI:
InChI=1S/C5H7N3.ClH/c6-3-5-1-2-7-4-8-5;/h1-2,4H,3,6H2;1H
InChI Key:
IHYUPLGHQKJENA-UHFFFAOYSA-N
Properties
Complexity:
64.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.041g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
145.59g/mol
Monoisotopic Mass:
145.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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