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117186-38-6

117186-38-6 | 1-Hepten-2-ol

CAS No: 117186-38-6 Catalog No: AG000DVL MDL No:

Product Description

Catalog Number:
AG000DVL
Chemical Name:
1-Hepten-2-ol
CAS Number:
117186-38-6
Molecular Formula:
C7H14O
Molecular Weight:
114.1855
IUPAC Name:
hept-1-en-2-ol
InChI:
InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h8H,2-6H2,1H3
InChI Key:
XXYOEHRZCDHOOF-UHFFFAOYSA-N
SMILES:
CCCCCC(=C)O

Properties

Complexity:
66.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.104g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
114.188g/mol
Monoisotopic Mass:
114.104g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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