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13237-74-6 | Phosphinic acid, (3-cyclohexen-1-ylhydroxymethyl)-, monosodium salt (7CI,8CI,9CI)
CAS No: 13237-74-6 Catalog No: AG0010LM MDL No:
Product Description
Catalog Number:
AG0010LM
Chemical Name:
Phosphinic acid, (3-cyclohexen-1-ylhydroxymethyl)-, monosodium salt (7CI,8CI,9CI)
CAS Number:
13237-74-6
Molecular Formula:
C7H12NaO3P
Molecular Weight:
198.1319
IUPAC Name:
sodium;[cyclohex-3-en-1-yl(hydroxy)methyl]-oxido-oxophosphanium
InChI:
InChI=1S/C7H11O3P.Na/c8-7(11(9)10)6-4-2-1-3-5-6;/h1-2,6-8H,3-5H2;/q;+1
InChI Key:
GDJJHUOLDQAACV-UHFFFAOYSA-N
SMILES:
[O-]P(=O)C(C1CCC=CC1)O.[Na+]
EC Number:
236-213-2
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.034g/mol
Formal Charge:
1
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.126g/mol
Monoisotopic Mass:
197.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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