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735274-67-6 | CIS-2-[2-OXO-2-(3-NITROPHENYL)ETHYL]CYCLOHEXANE-1-CARBOXYLIC ACID
CAS No: 735274-67-6 Catalog No: AG005D46 MDL No:
Product Description
Catalog Number:
AG005D46
Chemical Name:
CIS-2-[2-OXO-2-(3-NITROPHENYL)ETHYL]CYCLOHEXANE-1-CARBOXYLIC ACID
CAS Number:
735274-67-6
Molecular Formula:
C15H17NO5
Molecular Weight:
291.2992
IUPAC Name:
(1R,2R)-2-[2-(3-nitrophenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C15H17NO5/c17-14(11-5-3-6-12(8-11)16(20)21)9-10-4-1-2-7-13(10)15(18)19/h3,5-6,8,10,13H,1-2,4,7,9H2,(H,18,19)/t10-,13-/m1/s1
InChI Key:
MAUMNNKUSFXYAU-ZWNOBZJWSA-N
SMILES:
OC(=O)[C@@H]1CCCC[C@@H]1CC(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
291.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.303g/mol
Monoisotopic Mass:
291.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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