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10092-77-0 | Phosphonic acid, P-butyl-, bis(2-methylpropyl) ester
CAS No: 10092-77-0 Catalog No: AG00037P MDL No:
Product Description
Catalog Number:
AG00037P
Chemical Name:
Phosphonic acid, P-butyl-, bis(2-methylpropyl) ester
CAS Number:
10092-77-0
Molecular Formula:
C12H27O3P
Molecular Weight:
250.3147
IUPAC Name:
1-[bis(2-methylpropoxy)phosphoryl]butane
InChI:
InChI=1S/C12H27O3P/c1-6-7-8-16(13,14-9-11(2)3)15-10-12(4)5/h11-12H,6-10H2,1-5H3
InChI Key:
ZVXPPNMMWKQTDB-UHFFFAOYSA-N
SMILES:
CCCCP(=O)(OCC(C)C)OCC(C)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.17g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.319g/mol
Monoisotopic Mass:
250.17g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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