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73953-61-4 | 6-formyl-4,6',7'-trihydroxy-2',5',5',8a'-tetramethyl-3',4',4a',5',6',7',8',8a'-octahydro-2'h,3h-spiro[1-benzofuran-2,1'-naphthalene]-7-carboxylic acid
CAS No: 73953-61-4 Catalog No: AG005IV6 MDL No:
Product Description
Catalog Number:
AG005IV6
Chemical Name:
6-formyl-4,6',7'-trihydroxy-2',5',5',8a'-tetramethyl-3',4',4a',5',6',7',8',8a'-octahydro-2'h,3h-spiro[1-benzofuran-2,1'-naphthalene]-7-carboxylic acid
CAS Number:
73953-61-4
Molecular Formula:
C23H30O7
Molecular Weight:
418.4801
IUPAC Name:
1-(2-bromoethyl)-3-(4-chlorophenyl)urea
InChI:
InChI=1S/C9H10BrClN2O/c10-5-6-12-9(14)13-8-3-1-7(11)2-4-8/h1-4H,5-6H2,(H2,12,13,14)
InChI Key:
JVVBJYJBWXDKNG-UHFFFAOYSA-N
SMILES:
O=Cc1cc(O)c2c(c1C(=O)O)OC1(C2)C(C)CCC2C1(C)CC(O)C(C2(C)C)O
NSC Number:
159955
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.967g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.546g/mol
Monoisotopic Mass:
275.967g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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