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735275-43-1 | CIS-3-[2-OXO-2-(2-NITROPHENYL)ETHYL]CYCLOHEXANE-1-CARBOXYLIC ACID
CAS No: 735275-43-1 Catalog No: AG005D42 MDL No:
Product Description
Catalog Number:
AG005D42
Chemical Name:
CIS-3-[2-OXO-2-(2-NITROPHENYL)ETHYL]CYCLOHEXANE-1-CARBOXYLIC ACID
CAS Number:
735275-43-1
Molecular Formula:
C15H17NO5
Molecular Weight:
291.2992
IUPAC Name:
(1S,3R)-3-[2-(2-nitrophenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C15H17NO5/c17-14(12-6-1-2-7-13(12)16(20)21)9-10-4-3-5-11(8-10)15(18)19/h1-2,6-7,10-11H,3-5,8-9H2,(H,18,19)/t10-,11+/m1/s1
InChI Key:
FEWDUDHZWVICKS-MNOVXSKESA-N
SMILES:
OC(=O)[C@H]1CCC[C@H](C1)CC(=O)c1ccccc1[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:
2.7
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