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107-75-5 | 7-Hydroxy-3,7-dimethyloctanal
CAS No: 107-75-5 Catalog No: AG003IQZ MDL No:MFCD00014681
Product Description
Catalog Number:
AG003IQZ
Chemical Name:
7-Hydroxy-3,7-dimethyloctanal
CAS Number:
107-75-5
Molecular Formula:
C10H20O2
Molecular Weight:
172.2646
MDL Number:
MFCD00014681
IUPAC Name:
7-hydroxy-3,7-dimethyloctanal
InChI:
InChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3
InChI Key:
WPFVBOQKRVRMJB-UHFFFAOYSA-N
SMILES:
O=CCC(CCCC(O)(C)C)C
EC Number:
203-518-7
FEMA Number:
2583
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.146g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.268g/mol
Monoisotopic Mass:
172.146g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
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