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137888-76-7 | 9-Octadecen-1-ol, 1,1'-carbonate
CAS No: 137888-76-7 Catalog No: AG00140Z MDL No:
Product Description
Catalog Number:
AG00140Z
Chemical Name:
9-Octadecen-1-ol, 1,1'-carbonate
CAS Number:
137888-76-7
Molecular Formula:
C37H74O5
Molecular Weight:
598.9805
IUPAC Name:
carbonic acid;octadec-9-en-1-ol
InChI:
InChI=1S/2C18H36O.CH2O3/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;2-1(3)4/h2*9-10,19H,2-8,11-18H2,1H3;(H2,2,3,4)
InChI Key:
BFYCMIOBMSJZNW-UHFFFAOYSA-N
SMILES:
OC(=O)O.CCCCCCCCC=CCCCCCCCCO.CCCCCCCCC=CCCCCCCCCO
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
598.554g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
598.994g/mol
Monoisotopic Mass:
598.554g/mol
Rotatable Bond Count:
30
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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