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122741-61-1 | 1-Cyclohexene-1-carboxylic acid, 3-(phosphonooxy)-, (S)- (9CI)
CAS No: 122741-61-1 Catalog No: AG000J9J MDL No:
Product Description
Catalog Number:
AG000J9J
Chemical Name:
1-Cyclohexene-1-carboxylic acid, 3-(phosphonooxy)-, (S)- (9CI)
CAS Number:
122741-61-1
Molecular Formula:
C7H11O6P
Molecular Weight:
222.1324
IUPAC Name:
(3S)-3-phosphonooxycyclohexene-1-carboxylic acid
InChI:
InChI=1S/C7H11O6P/c8-7(9)5-2-1-3-6(4-5)13-14(10,11)12/h4,6H,1-3H2,(H,8,9)(H2,10,11,12)/t6-/m0/s1
InChI Key:
XGUYJKAVWJYMQN-LURJTMIESA-N
SMILES:
OC(=O)C1=C[C@H](CCC1)OP(=O)(O)O
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
222.029g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
222.133g/mol
Monoisotopic Mass:
222.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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