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845726-63-8 | 2-Cyclohepten-1-ol, phosphate (3:1)
CAS No: 845726-63-8 Catalog No: AG004UOA MDL No:
Product Description
Catalog Number:
AG004UOA
Chemical Name:
2-Cyclohepten-1-ol, phosphate (3:1)
CAS Number:
845726-63-8
Molecular Formula:
C21H39O7P
Molecular Weight:
434.5039
IUPAC Name:
cyclohept-2-en-1-ol;phosphoric acid
InChI:
InChI=1S/3C7H12O.H3O4P/c3*8-7-5-3-1-2-4-6-7;1-5(2,3)4/h3*3,5,7-8H,1-2,4,6H2;(H3,1,2,3,4)
InChI Key:
WYKLLSXRAGLDOW-UHFFFAOYSA-N
SMILES:
OP(=O)(O)O.OC1CCCCC=C1.OC1CCCCC=C1.OC1CCCCC=C1
Properties
Complexity:
136
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:
3
Undefined Bond Stereocenter Count:
0
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