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17716-08-4 | Cyclohexanecarboxylic acid, 2-[(2-propen-1-ylamino)carbonyl]-, (1R,2S)-rel-
CAS No: 17716-08-4 Catalog No: AG00254A MDL No:
Product Description
Catalog Number:
AG00254A
Chemical Name:
Cyclohexanecarboxylic acid, 2-[(2-propen-1-ylamino)carbonyl]-, (1R,2S)-rel-
CAS Number:
17716-08-4
Molecular Formula:
C11H17NO3
Molecular Weight:
211.2576
IUPAC Name:
(1R,2S)-2-(prop-2-enylcarbamoyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C11H17NO3/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(14)15/h2,8-9H,1,3-7H2,(H,12,13)(H,14,15)/t8-,9+/m0/s1
InChI Key:
SLRAUCUDDYGPJP-DTWKUNHWSA-N
SMILES:
C=CCNC(=O)[C@H]1CCCC[C@H]1C(=O)O
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
211.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.261g/mol
Monoisotopic Mass:
211.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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