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178242-64-3 | Cyclohexaneacetic acid, 1-amino-, methyl ester
CAS No: 178242-64-3 Catalog No: AG0025V8 MDL No:MFCD08690704
Product Description
Catalog Number:
AG0025V8
Chemical Name:
Cyclohexaneacetic acid, 1-amino-, methyl ester
CAS Number:
178242-64-3
Molecular Formula:
C9H17NO2
Molecular Weight:
171.2368
MDL Number:
MFCD08690704
IUPAC Name:
methyl 2-(1-aminocyclohexyl)acetate
InChI:
InChI=1S/C9H17NO2/c1-12-8(11)7-9(10)5-3-2-4-6-9/h2-7,10H2,1H3
InChI Key:
RLMHBOGYHKMLFN-UHFFFAOYSA-N
SMILES:
COC(=O)CC1(N)CCCCC1
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.24g/mol
Monoisotopic Mass:
171.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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