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Home > Nitro Compounds > 904814-30-8
904814-30-8 | 4-HYDROXY-4-(3-NITRO-PHENYL)-2-OXO-BUT-3-ENOIC ACID
CAS No: 904814-30-8 Catalog No: AG00GVBD MDL No:MFCD06245422
Product Description
Catalog Number:
AG00GVBD
Chemical Name:
4-HYDROXY-4-(3-NITRO-PHENYL)-2-OXO-BUT-3-ENOIC ACID
CAS Number:
904814-30-8
Molecular Formula:
C10H7NO6
Molecular Weight:
237.1657
MDL Number:
MFCD06245422
IUPAC Name:
4-hydroxy-4-(3-nitrophenyl)-2-oxobut-3-enoic acid
InChI:
InChI=1S/C10H7NO6/c12-8(5-9(13)10(14)15)6-2-1-3-7(4-6)11(16)17/h1-5,12H,(H,14,15)
InChI Key:
DBNMRWDKCSKCOM-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)/C=C(/c1cccc(c1)[N+](=O)[O-])\O
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.027g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.167g/mol
Monoisotopic Mass:
237.027g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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