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119959-31-8 | 1H-Inden-1-ol, 2,3-dihydro-, 1-(4-nitrobenzoate)
CAS No: 119959-31-8 Catalog No: AG000PW0 MDL No:
Product Description
Catalog Number:
AG000PW0
Chemical Name:
1H-Inden-1-ol, 2,3-dihydro-, 1-(4-nitrobenzoate)
CAS Number:
119959-31-8
IUPAC Name:
2,3-dihydro-1H-inden-1-ol;4-nitrobenzoic acid
InChI:
InChI=1S/C9H10O.C7H5NO4/c10-9-6-5-7-3-1-2-4-8(7)9;9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,9-10H,5-6H2;1-4H,(H,9,10)
InChI Key:
JJVWFJIUNAUBDV-UHFFFAOYSA-N
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.095g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.298g/mol
Monoisotopic Mass:
301.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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