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Home > Other Heterocycles > 2089501-87-9
2089501-87-9 | 3-[(1S,4R)-bicyclo[2.2.1]heptan-2-yl]prop-2-enoic acid
CAS No: 2089501-87-9 Catalog No: AG01ACZG MDL No:
Product Description
Catalog Number:
AG01ACZG
Chemical Name:
3-[(1S,4R)-bicyclo[2.2.1]heptan-2-yl]prop-2-enoic acid
CAS Number:
2089501-87-9
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
IUPAC Name:
3-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]prop-2-enoic acid
InChI:
InChI=1S/C10H14O2/c11-10(12)4-3-9-6-7-1-2-8(9)5-7/h3-4,7-9H,1-2,5-6H2,(H,11,12)/t7-,8+,9?/m0/s1
InChI Key:
CVZJZTLSHVMYOU-ZQTLJVIJSA-N
SMILES:
OC(=O)C=CC1C[C@H]2C[C@@H]1CC2
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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