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88729-57-1 | Borinane, 1-methoxy-2-heptyl-
CAS No: 88729-57-1 Catalog No: AG00452W MDL No:
Product Description
Catalog Number:
AG00452W
Chemical Name:
Borinane, 1-methoxy-2-heptyl-
CAS Number:
88729-57-1
Molecular Formula:
C13H27BO
Molecular Weight:
210.1639
IUPAC Name:
2-heptyl-1-methoxyborinane
InChI:
InChI=1S/C13H27BO/c1-3-4-5-6-7-10-13-11-8-9-12-14(13)15-2/h13H,3-12H2,1-2H3
InChI Key:
LRQWEYXEQKLIMK-UHFFFAOYSA-N
SMILES:
CCCCCCCC1CCCCB1OC
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.215g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.168g/mol
Monoisotopic Mass:
210.215g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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