Home Carboxys (2S,3R)-3-((3-Methoxyphenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

(2S,3R)-3-((3-Methoxyphenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

CAS No.:
464877-92-7
Catalog Number:
AG00DD8D
Molecular Formula:
C16H17NO4
Molecular Weight:
287.3105
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$226
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Product Description
Catalog Number:
AG00DD8D
Chemical Name:
(2S,3R)-3-((3-Methoxyphenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CAS Number:
464877-92-7
Molecular Formula:
C16H17NO4
Molecular Weight:
287.3105
MDL Number:
MFCD09802333
IUPAC Name:
(2S,3R)-3-[(3-methoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
InChI:
InChI=1S/C16H17NO4/c1-21-12-4-2-3-11(8-12)17-15(18)13-9-5-6-10(7-9)14(13)16(19)20/h2-6,8-10,13-14H,7H2,1H3,(H,17,18)(H,19,20)/t9?,10?,13-,14+/m1/s1
InChI Key:
BIZXJOLLOODDNH-FEZLSPKCSA-N
SMILES:
COc1cccc(c1)NC(=O)[C@@H]1C2C=CC([C@@H]1C(=O)O)C2
Properties
Complexity:
461  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
287.116g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
287.315g/mol
Monoisotopic Mass:
287.116g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties