Home Other Building Blocks 3-METHYL-4-HEPTANOL

3-METHYL-4-HEPTANOL

CAS No.:
1838-73-9
Catalog Number:
AG003JPW
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003JPW
Chemical Name:
3-METHYL-4-HEPTANOL
CAS Number:
1838-73-9
MDL Number:
MFCD00021931
IUPAC Name:
3-methylheptan-4-ol
InChI:
InChI=1S/C8H18O/c1-4-6-8(9)7(3)5-2/h7-9H,4-6H2,1-3H3
InChI Key:
JMRDKKYZLXDPLN-UHFFFAOYSA-N
EC Number:
217-414-4
Properties
Complexity:
61.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.136g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
130.231g/mol
Monoisotopic Mass:
130.136g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Analysis of volatile organic compounds released from human lung cancer cells and from the urine of tumor-bearing mice. Cancer cell international 20120101
Properties