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1005154-25-5,MFCD09834081
Catalog No.:AA00024L
1005154-25-5 | 3-(Allylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
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Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$112.00   $78.00
- +
5g
95%
in stock  
$326.00   $228.00
- +
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Technical Information
Catalog Number:
AA00024L
Chemical Name:
3-(Allylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CAS Number:
1005154-25-5
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
MDL Number:
MFCD09834081
IUPAC Name:
3-(prop-2-enylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
InChI:
InChI=1S/C12H17NO3/c1-2-5-13-11(14)9-7-3-4-8(6-7)10(9)12(15)16/h2,7-10H,1,3-6H2,(H,13,14)(H,15,16)
InChI Key:
HAMXQRSEDGZKRF-UHFFFAOYSA-N
SMILES:
C=CCNC(=O)C1C2CCC(C1C(=O)O)C2
Properties
Computed Properties
 
Complexity:
326  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.121g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
223.272g/mol
Monoisotopic Mass:
223.121g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Synonyms
 
1005154-25-5 
3-[(ALLYLAMINO)CARBONYL]BICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID 
ZX-CM017804 
BBL017743 
MFCD09834081 
STK479850 
AKOS003315169 
AKOS016345707 
MCULE-5298257598 
FT-0684389 
Y-5576 
I04-4124 
3-(Allylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid 
2-(prop-2-enylcarbamoyl)bicyclo[2.2.1]heptane-3-carboxylic acid 
bicyclo[2.2.1]heptane-2-carboxylic acid, 3-[(2-propenylamino)carbonyl]- 
Bicyclo[2.2.1]heptane-2-carboxylic acid, 3-[(2-propen-1-ylamino)carbonyl]- 
CID6468954 
6-(prop-2-enylcarbamoyl)bicyclo[2.2.1]heptane-5-carboxylic Acid 
3-[(prop-2-en-1-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid 
3-(prop-2-en-1-ylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid 
AC1O66EV 
CTK3J9031 
DTXSID10424258 
ALBB-012076 
ZX-AN010884 
Literature
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