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123053-16-7 | 1H-Azepine-2-carboxylic acid, hexahydro-2-methyl-, (S)- (9CI)
CAS No: 123053-16-7 Catalog No: AG000K0L MDL No:
Product Description
Catalog Number:
AG000K0L
Chemical Name:
1H-Azepine-2-carboxylic acid, hexahydro-2-methyl-, (S)- (9CI)
CAS Number:
123053-16-7
Molecular Formula:
C8H15NO2
Molecular Weight:
157.2102
IUPAC Name:
(2S)-2-methylazepane-2-carboxylic acid
InChI:
InChI=1S/C8H15NO2/c1-8(7(10)11)5-3-2-4-6-9-8/h9H,2-6H2,1H3,(H,10,11)/t8-/m0/s1
InChI Key:
HENFVIRGSOIAEG-QMMMGPOBSA-N
SMILES:
OC(=O)[C@]1(C)CCCCCN1
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
157.11g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
157.213g/mol
Monoisotopic Mass:
157.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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