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Home > Nitro Compounds > 938446-25-4
938446-25-4 | 3-BUTEN-2-OL, 2-METHYL-3-(NITROMETHYL)-
CAS No: 938446-25-4 Catalog No: AG00H92T MDL No:
Product Description
Catalog Number:
AG00H92T
Chemical Name:
3-BUTEN-2-OL, 2-METHYL-3-(NITROMETHYL)-
CAS Number:
938446-25-4
Molecular Formula:
C6H11NO3
Molecular Weight:
145.1564
IUPAC Name:
2-methyl-3-(nitromethyl)but-3-en-2-ol
InChI:
InChI=1S/C6H11NO3/c1-5(4-7(9)10)6(2,3)8/h8H,1,4H2,2-3H3
InChI Key:
ZTYFFGCMANOODD-UHFFFAOYSA-N
SMILES:
C=C(C(O)(C)C)C[N+](=O)[O-]
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.074g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
145.158g/mol
Monoisotopic Mass:
145.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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