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1606-30-0 | 1-Propene, 2-methylnitro-
CAS No: 1606-30-0 Catalog No: AG00HYLQ MDL No:MFCD20922791
Product Description
Catalog Number:
AG00HYLQ
Chemical Name:
1-Propene, 2-methylnitro-
CAS Number:
1606-30-0
Molecular Formula:
C4H7NO2
Molecular Weight:
101.1039
MDL Number:
MFCD20922791
IUPAC Name:
2-methyl-1-nitroprop-1-ene
InChI:
InChI=1S/C4H7NO2/c1-4(2)3-5(6)7/h3H,1-2H3
InChI Key:
VXMMUDFDTWWSQT-UHFFFAOYSA-N
SMILES:
CC(=C[N+](=O)[O-])C
NSC Number:
89775
Properties
Complexity:
96.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
101.048g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
101.105g/mol
Monoisotopic Mass:
101.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Gamma2-, gamma3-, and gamma(2,3,4)-amino acids, coupling to gamma-hexapeptides: CD spectra, NMR solution and X-ray crystal structures of gamma-peptides. | Chemistry (Weinheim an der Bergstrasse, Germany) 20020202 |
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