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Home > Nitro Compounds > 29067-53-6
29067-53-6 | 1-(3-nitrophenyl)propan-1-ol
CAS No: 29067-53-6 Catalog No: AG01B4B4 MDL No:MFCD11867370
Product Description
Catalog Number:
AG01B4B4
Chemical Name:
1-(3-nitrophenyl)propan-1-ol
CAS Number:
29067-53-6
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD11867370
IUPAC Name:
1-(3-nitrophenyl)propan-1-ol
InChI:
InChI=1S/C9H11NO3/c1-2-9(11)7-4-3-5-8(6-7)10(12)13/h3-6,9,11H,2H2,1H3
InChI Key:
LSEJDXFJBNGGBI-UHFFFAOYSA-N
SMILES:
CCC(c1cccc(c1)[N+](=O)[O-])O
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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