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3-Phosphonobenzoic Acid

Catalog Number
ACM14899311-1
CAS Number
14899-31-1
Product Name
3-Phosphonobenzoic Acid
Structure
Category
Self Assembly and Contact Printing Materials
IUPAC Name
3-phosphonobenzoic acid
Molecular Weight
202.1g/mol
Molecular Formula
C7H7O5P
Canonical SMILES
C1=CC(=CC(=C1)P(=O)(O)O)C(=O)O
InChI
InChI=1S/C7H7O5P/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-4H,(H,8,9)(H2,10,11,12)
InChI Key
ZKKXCRILZNBJJM-UHFFFAOYSA-N
Complexity
245
Covalently-Bonded Unit Count
1
Exact Mass
202.00311g/mol
Formal Charge
0
Heavy Atom Count
13
Monoisotopic Mass
202.00311g/mol
NSC Number
666474;408732
Rotatable Bond Count
2
XLogP3
-0.5
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