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81784-18-1 | Benzaldehyde, 4-hydroxy-3-[(1S)-1,2,2-trimethylcyclopentyl]-
CAS No: 81784-18-1 Catalog No: AG0050MO MDL No:
Product Description
Catalog Number:
AG0050MO
Chemical Name:
Benzaldehyde, 4-hydroxy-3-[(1S)-1,2,2-trimethylcyclopentyl]-
CAS Number:
81784-18-1
Molecular Formula:
C15H20O2
Molecular Weight:
232.3181
IUPAC Name:
4-hydroxy-3-[(1S)-1,2,2-trimethylcyclopentyl]benzaldehyde
InChI:
InChI=1S/C15H20O2/c1-14(2)7-4-8-15(14,3)12-9-11(10-16)5-6-13(12)17/h5-6,9-10,17H,4,7-8H2,1-3H3/t15-/m1/s1
InChI Key:
SCCIHFJBMVJTLP-OAHLLOKOSA-N
SMILES:
O=Cc1ccc(c(c1)[C@@]1(C)CCCC1(C)C)O
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
232.146g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.323g/mol
Monoisotopic Mass:
232.146g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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