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Home > Nitro Compounds > 899809-64-4
899809-64-4 | 2-Propenoic acid, 3-(5-nitro-1-cyclohexen-1-yl)-, (2E)-
CAS No: 899809-64-4 Catalog No: AG00GUIM MDL No:MFCD16877199
Product Description
Catalog Number:
AG00GUIM
Chemical Name:
2-Propenoic acid, 3-(5-nitro-1-cyclohexen-1-yl)-, (2E)-
CAS Number:
899809-64-4
Molecular Formula:
C9H11NO4
Molecular Weight:
197.1879
MDL Number:
MFCD16877199
IUPAC Name:
(E)-3-(5-nitrocyclohexen-1-yl)prop-2-enoic acid
InChI:
InChI=1S/C9H11NO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h2,4-5,8H,1,3,6H2,(H,11,12)/b5-4+
InChI Key:
PEYXGOWSKLZBEO-SNAWJCMRSA-N
SMILES:
OC(=O)/C=C/C1=CCCC(C1)[N+](=O)[O-]
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
197.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.19g/mol
Monoisotopic Mass:
197.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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