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61131-60-0 | m-(2-nitro-1-propenyl)phenol
CAS No: 61131-60-0 Catalog No: AG00F4PD MDL No:
Product Description
Catalog Number:
AG00F4PD
Chemical Name:
m-(2-nitro-1-propenyl)phenol
CAS Number:
61131-60-0
IUPAC Name:
3-[(Z)-2-nitroprop-1-enyl]phenol
InChI:
InChI=1S/C9H9NO3/c1-7(10(12)13)5-8-3-2-4-9(11)6-8/h2-6,11H,1H3/b7-5-
InChI Key:
PSRIKSDCVRDVKZ-ALCCZGGFSA-N
EC Number:
262-619-4
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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