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Home > Nitro Compounds > 773130-43-1
773130-43-1 | (E)-3-(4-(Methoxycarbonyl)-2-nitrophenyl)acrylic acid
CAS No: 773130-43-1 Catalog No: AG005NQ1 MDL No:MFCD06205491
Product Description
Catalog Number:
AG005NQ1
Chemical Name:
(E)-3-(4-(Methoxycarbonyl)-2-nitrophenyl)acrylic acid
CAS Number:
773130-43-1
Molecular Formula:
C11H9NO6
Molecular Weight:
251.1923
MDL Number:
MFCD06205491
IUPAC Name:
(E)-3-(4-methoxycarbonyl-2-nitrophenyl)prop-2-enoic acid
InChI:
InChI=1S/C11H9NO6/c1-18-11(15)8-3-2-7(4-5-10(13)14)9(6-8)12(16)17/h2-6H,1H3,(H,13,14)/b5-4+
InChI Key:
OBXIHACULRGOCJ-SNAWJCMRSA-N
SMILES:
COC(=O)c1ccc(c(c1)[N+](=O)[O-])/C=C/C(=O)O
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
251.043g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.194g/mol
Monoisotopic Mass:
251.043g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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