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Home > Other Heterocycles > 1341786-55-7
1341786-55-7 | 3-(BICYCLO[2.2.1]HEPTAN-2-YL)PROP-2-YNOIC ACID
CAS No: 1341786-55-7 Catalog No: AG01DRFZ MDL No:MFCD20347424
Product Description
Catalog Number:
AG01DRFZ
Chemical Name:
3-(BICYCLO[2.2.1]HEPTAN-2-YL)PROP-2-YNOIC ACID
CAS Number:
1341786-55-7
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD20347424
IUPAC Name:
3-(2-bicyclo[2.2.1]heptanyl)prop-2-ynoic acid
InChI:
InChI=1S/C10H12O2/c11-10(12)4-3-9-6-7-1-2-8(9)5-7/h7-9H,1-2,5-6H2,(H,11,12)
InChI Key:
GINJESWXXYDOOJ-UHFFFAOYSA-N
SMILES:
OC(=O)C#CC1CC2CC1CC2
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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