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28631-98-3 | Phosphonic acid, P-(methylphenyl)-
CAS No: 28631-98-3 Catalog No: AG002VW6 MDL No:
Product Description
Catalog Number:
AG002VW6
Chemical Name:
Phosphonic acid, P-(methylphenyl)-
CAS Number:
28631-98-3
Molecular Formula:
C7H9O3P
Molecular Weight:
172.1183
IUPAC Name:
(2-methylphenyl)phosphonic acid
InChI:
InChI=1S/C7H9O3P/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
InChI Key:
YXTSJMYYIRPSDF-UHFFFAOYSA-N
SMILES:
Cc1ccccc1P(=O)(O)O
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.029g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.12g/mol
Monoisotopic Mass:
172.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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