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Home > Nitro Compounds > 94640-32-1
94640-32-1 | Phenol, 2-methoxy-4-(2-nitropropyl)-
CAS No: 94640-32-1 Catalog No: AG00H5QC MDL No:
Product Description
Catalog Number:
AG00H5QC
Chemical Name:
Phenol, 2-methoxy-4-(2-nitropropyl)-
CAS Number:
94640-32-1
Molecular Formula:
C10H13NO4
Molecular Weight:
211.2145
IUPAC Name:
2-methoxy-4-(2-nitropropyl)phenol
InChI:
InChI=1S/C10H13NO4/c1-7(11(13)14)5-8-3-4-9(12)10(6-8)15-2/h3-4,6-7,12H,5H2,1-2H3
InChI Key:
NTBUMHJDWXPBRR-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1O)CC([N+](=O)[O-])C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.217g/mol
Monoisotopic Mass:
211.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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