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Home > Other Heterocycles > 97905-14-1
97905-14-1 | Bicyclo[2.2.1]heptanol, phosphate (3:1)
CAS No: 97905-14-1 Catalog No: AG005XB7 MDL No:
Product Description
Catalog Number:
AG005XB7
Chemical Name:
Bicyclo[2.2.1]heptanol, phosphate (3:1)
CAS Number:
97905-14-1
Molecular Formula:
C21H39O7P
Molecular Weight:
434.5039
IUPAC Name:
bicyclo[2.2.1]heptan-1-ol;phosphoric acid
InChI:
InChI=1S/3C7H12O.H3O4P/c3*8-7-3-1-6(5-7)2-4-7;1-5(2,3)4/h3*6,8H,1-5H2;(H3,1,2,3,4)
InChI Key:
SDNMWNYNJDVUCE-UHFFFAOYSA-N
SMILES:
OC12CCC(C2)CC1.OC12CCC(C2)CC1.OC12CCC(C2)CC1.OP(=O)(O)O
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.243g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
434.51g/mol
Monoisotopic Mass:
434.243g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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