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102430-68-2 | 1H-3-Benzazepine-7,8-diol, 2,3,4,5-tetrahydro-1-(4-hydroxyphenyl)-
CAS No: 102430-68-2 Catalog No: AG0007FU MDL No:
Product Description
Catalog Number:
AG0007FU
Chemical Name:
1H-3-Benzazepine-7,8-diol, 2,3,4,5-tetrahydro-1-(4-hydroxyphenyl)-
CAS Number:
102430-68-2
Molecular Formula:
C16H17NO3
Molecular Weight:
271.3111
IUPAC Name:
5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
InChI:
InChI=1S/C16H17NO3/c18-12-3-1-10(2-4-12)14-9-17-6-5-11-7-15(19)16(20)8-13(11)14/h1-4,7-8,14,17-20H,5-6,9H2
InChI Key:
WEQOPZCFAOUMAW-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C1CNCCc2c1cc(O)c(c2)O
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
271.316g/mol
Monoisotopic Mass:
271.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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