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116174-40-4 | Cyclohexanecarboxamide, 2-(hydroxymethyl)-, (1S,2S)-
CAS No: 116174-40-4 Catalog No: AG000BTY MDL No:MFCD12911403
Product Description
Catalog Number:
AG000BTY
Chemical Name:
Cyclohexanecarboxamide, 2-(hydroxymethyl)-, (1S,2S)-
CAS Number:
116174-40-4
Molecular Formula:
C8H15NO2
Molecular Weight:
157.2102
MDL Number:
MFCD12911403
IUPAC Name:
(1S,2S)-2-(hydroxymethyl)cyclohexane-1-carboxamide
InChI:
InChI=1S/C8H15NO2/c9-8(11)7-4-2-1-3-6(7)5-10/h6-7,10H,1-5H2,(H2,9,11)/t6-,7+/m1/s1
InChI Key:
OEVOZNQMEGBPOA-RQJHMYQMSA-N
SMILES:
OC[C@H]1CCCC[C@@H]1C(=O)N
EC Number:
601-416-0
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
157.11g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
157.213g/mol
Monoisotopic Mass:
157.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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